ortho-fluorofentanyl - swgdrug · ei mass spectrum: ortho-fluorofentanyl hcl; lot # rm-160713-01 50...

ortho-FluorofentanylThe Drug Enforcement Administration's Special Testing and Research Laboratory

generated this monograph using structurally confirmed reference material.

Latest Revision: 12/8/2016 of 5SWGDRUG.org/monographs.htm

1. GENERAL INFORMATION

IUPAC Name: N-(2-fluorophenyl)-N-[1-(2-phenylethyl)-4-piperidinyl]propanamide

CAS#:

Synonyms: o-fluorofentanyl, 2-fluorofentanyl, ortho-F-fentanyl

Source: DEA Reference Material Collection

Appearance: white powder (HCl)

UVmax(nm): Not determined

2. CHEMICAL AND PHYSICAL DATA

2.1 CHEMICAL DATA

Form Chemical Formula Molecular Weight Melting Point (oC)

Base C22H27FN2O 354.46 Not Determined

HCl C22H27FN2O HCl 390.92 233.5

N

CH3

O

N

F

N/A




3. QUALITATIVE DATA

3.1 NUCLEAR MAGNETIC RESONANCE

Sample Preparation: Dilute analyte to ~11 mg/mL in CD3OD containing TMS for 0 ppm reference anddimethylfumarate as quantitative internal standard.

Instrument: 400 MHz NMR spectrometerParameters: Spectral width: at least containing -3 ppm through 13 ppm

Pulse angle: 90o

Delay between pulses: 45 seconds

1HNMR: ortho-Fluorofentanyl HCl; LOT # RM-160713-01; CD3OD; 400MHz

7.5 7.0 6.5 6.0 5.5 5.0 4.5 4.0 3.5 3.0 2.5 2.0 1.5 1.0 0.5 0

322222221351

dimethylfumarate TMS

CD3OD

7.5 7.4 7.3

351

4.85 4.80

1

3.70

2

3.30 3.20

22

3.000

2

2.00 1.75

222

1.025

3

CD3OD*

* *

* = 13C satellite




3.2 GAS CHROMATOGRAPHY/MASS SPECTROMETRY

Sample Preparation: Dilute analyte ~4 mg/mL in MeOH

Instrument: Agilent gas chromatograph operated in split mode with MS detectorColumn: HP-5 MS (or equivalent); 30m x 0.25 mm x 0.25mCarrier Gas: Helium at 1.5 mL/minTemperatures: Injector: 280oC MSD transfer line: 280oC

MS Source: 230oC MS Quad: 150oCOven program:

1) 100oC initial temperature for 1.0 min2) Ramp to 280oC at 12 oC/min3) Hold final temperature for 9.0 min

Injection Parameters: Split Ratio = 25:1, 1 L injectedMS Parameters: Mass scan range: 30-550 amu Threshold: 150

Tune file: stune.u Acquisition mode: scanRetention Time: 16.885 min

EI Mass Spectrum: ortho-Fluorofentanyl HCl; LOT # RM-160713-01

m/z35030025020015010050

[x 1

06 ]In

tens

ity

0.5

1.0

42424242424242424242424242424242424242424242 5757575757575757575757575757575757575757575770707070707070707070707070707070707070707070

7777777777777777777777777777777777777777777779797979797979797979797979797979797979797979

9191919191919191919191919191919191919191919195959595959595959595959595959595959595959595

96969696969696969696969696969696969696969696105105105105105105105105105105105105105105105105105105105105105105

122122122122122122122122122122122122122122122122122122122122122122 136136136136136136136136136136136136136136136136136136136136136136149149149149149149149149149149149149149149149149149149149149149149150150150150150150150150150150150150150150150150150150150150150150

164164164164164164164164164164164164164164164164164164164164164164

165165165165165165165165165165165165165165165165165165165165165165

207207207207207207207207207207207207207207207207207207207207207207

208208208208208208208208208208208208208208208208208208208208208208220220220220220220220220220220220220220220220220220220220220220220221221221221221221221221221221221221221221221221221221221221221221

234234234234234234234234234234234234234234234234234234234234234234 263263263263263263263263263263263263263263263263263263263263263263

263263263263263263263263263263263263263263263263263263263263263263

264264264264264264264264264264264264264264264264264264264264264264

297297297297297297297297297297297297297297297297297297297297297297

m/z35030025020015010050

[x 1

05 ]In

tens

ity

0.5

1.0

1.5

30303030303030303030303030303030303030303030393939393939393939393939393939393939393939394141414141414141414141414141414141414141414141414141414141414141414141414141414141414141

42424242424242424242424242424242424242424242

44444444444444444444444444444444444444444444

5555555555555555555555555555555555555555555556565656565656565656565656565656565656565656

57575757575757575757575757575757575757575757

68686868686868686868686868686868686868686868

707070707070707070707070707070707070707070707777777777777777777777777777777777777777777779797979797979797979797979797979797979797979

9191919191919191919191919191919191919191919196969696969696969696969696969696969696969696

105105105105105105105105105105105105105105105105105105105105105105

106106106106106106106106106106106106106106106106106106106106106106

122122122122122122122122122122122122122122122122122122122122122122

136136136136136136136136136136136136136136136136136136136136136136149149149149149149149149149149149149149149149149149149149149149149

150150150150150150150150150150150150150150150150150150150150150150

164164164164164164164164164164164164164164164164164164164164164164

165165165165165165165165165165165165165165165165165165165165165165

188188188188188188188188188188188188188188188188188188188188188188

207207207207207207207207207207207207207207207207207207207207207207

220220220220220220220220220220220220220220220220220220220220220220

221221221221221221221221221221221221221221221221221221221221221221231231231231231231231231231231231231231231231231231231231231231231234234234234234234234234234234234234234234234234234234234234234234235235235235235235235235235235235235235235235235235235235235235235262262262262262262262262262262262262262262262262262262262262262262

263263263263263263263263263263263263263263263263263263263263263263

263263263263263263263263263263263263263263263263263263263263263263 264264264264264264264264264264264264264264264264264264264264264264

265265265265265265265265265265265265265265265265265265265265265265265265265265265265265265265265265265265265265265265265265265265265266266266266266266266266266266266266266266266266266266266266266266 297297297297297297297297297297297297297297297297297297297297297297 352352352352352352352352352352352352352352352352352352352352352352

353353353353353353353353353353353353353353353353353353353353353353355355355355355355355355355355355355355355355355355355355355355355

176

186




3.3 INFRARED SPECTROSCOPY (FTIR)

Instrument: FTIR with diamond ATR attachment (1 bounce)Scan Parameters: Number of scans: 32

Number of background scans: 32Resolution: 4 cm-1

Sample gain: 4Aperture: 80

FTIR ATR (Diamond 1 Bounce): ortho-Fluorofentanyl HCl; LOT # RM-160713-01

Wavenumber (cm-1)3500 3000 2500 2000 1500 1000

%Tr

ansm

ittan

ce

50

55

60

65

70

75

80

464464464464464464464464464464464464464464464464464464464464464464

694694694694694694694694694694694694694694694694694694694694694694728

728728728728728728728728728728728728728728728728728728728728728

754754754754754754754754754754754754754754754754754754754754754754

817817817817817817817817817817817817817817817817817817817817817817

942942942942942942942942942942942942942942942942942942942942942942

1044104410441044104410441044104410441044104410441044104410441044104410441044104410441044

1275127512751275127512751275127512751275127512751275127512751275127512751275127512751275

1377137713771377137713771377137713771377137713771377137713771377137713771377137713771377

14561456145614561456145614561456145614561456145614561456145614561456145614561456145614561497

149714971497149714971497149714971497149714971497149714971497149714971497149714971497

1660166016601660166016601660166016601660166016601660166016601660166016601660166016601660

2420242024202420242024202420242024202420242024202420242024202420242024202420242024202420

24702470247024702470247024702470247024702470247024702470247024702470247024702470247024702525

252525252525252525252525252525252525252525252525252525252525252525252525252525252525

2587258725872587258725872587258725872587258725872587258725872587258725872587258725872587

2627262726272627262726272627262726272627262726272627262726272627262726272627262726272627

2929292929292929292929292929292929292929292929292929292929292929292929292929292929292929

2981298129812981298129812981298129812981298129812981298129812981298129812981298129812981

3061306130613061306130613061306130613061306130613061306130613061306130613061306130613061

Wavenumber (cm-1)1900 1800 1700 1600 1500 1400 1300 1200 1100 1000 900 800 700

%Tr

ansm

ittan

ce

50

55

60

65

70

75

80 442442442442442442442442442442442442442442442442442442442442442442

464464464464464464464464464464464464464464464464464464464464464464

494494494494494494494494494494494494494494494494494494494494494494

502502502502502502502502502502502502502502502502502502502502502502

554554554554554554554554554554554554554554554554554554554554554554

586586586586586586586586586586586586586586586586586586586586586586

604604604604604604604604604604604604604604604604604604604604604604

634634634634634634634634634634634634634634634634634634634634634634663663663663663663663663663663663663663663663663663663663663663663

694694694694694694694694694694694694694694694694694694694694694694728

728728728728728728728728728728728728728728728728728728728728728

754754754754754754754754754754754754754754754754754754754754754754

765765765765765765765765765765765765765765765765765765765765765765

817817817817817817817817817817817817817817817817817817817817817817

863863863863863863863863863863863863863863863863863863863863863863

906906906906906906906906906906906906906906906906906906906906906906919919919919919919919919919919919919919919919919919919919919919919

942942942942942942942942942942942942942942942942942942942942942942

969969969969969969969969969969969969969969969969969969969969969969

1015101510151015101510151015101510151015101510151015101510151015101510151015101510151015

1044104410441044104410441044104410441044104410441044104410441044104410441044104410441044

10961096109610961096109610961096109610961096109610961096109610961096109610961096109610961116111611161116111611161116111611161116111611161116111611161116111611161116111611161116

1161116111611161116111611161116111611161116111611161116111611161116111611161116111611161

12051205120512051205120512051205120512051205120512051205120512051205120512051205120512051220122012201220122012201220122012201220122012201220122012201220122012201220122012201220

1261126112611261126112611261126112611261126112611261126112611261126112611261126112611261

1275127512751275127512751275127512751275127512751275127512751275127512751275127512751275

1328132813281328132813281328132813281328132813281328132813281328132813281328132813281328

1360136013601360136013601360136013601360136013601360136013601360136013601360136013601360

1377137713771377137713771377137713771377137713771377137713771377137713771377137713771377

14441444144414441444144414441444144414441444144414441444144414441444144414441444144414441456

1456145614561456145614561456145614561456145614561456145614561456145614561456145614561497

149714971497149714971497149714971497149714971497149714971497149714971497149714971497

1587158715871587158715871587158715871587158715871587158715871587158715871587158715871587

1607160716071607160716071607160716071607160716071607160716071607160716071607160716071607

1660166016601660166016601660166016601660166016601660166016601660166016601660166016601660




4. ADDITIONAL RESOURCES

No additional resources as of 09/2016

ortho-fluorofentanyl - swgdrug · ei mass spectrum: ortho-fluorofentanyl hcl; lot # rm-160713-01 50...

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