| SpectraBase Spectrum ID |
JFpq6LmkWfY |
| Name |
Citalopram-M (Bisnor) PFP |
| Classification |
Pharmaceutical drug metabolite derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
442.111596739 u |
| Formula |
C21H16F6N2O2 |
| InChI |
InChI=1S/C21H16F6N2O2/c22-16-5-3-15(4-6-16)19(17-7-2-13(11-28)10-14(17)12-31-19)8-1-9-29-18(30)20(23,24)21(25,26)27/h2-7,10H,1,8-9,12H2,(H,29,30) |
| InChIKey |
QTPHMTGWCWWFLJ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
442.361 g/mol |
| Nominal Mass |
442 u |
| Quality |
999 |
| Retention Index |
2525 |
| SMILES |
C1(C=2C(CO1)=CC(=CC2)C#N)(C=1C=CC(=CC1)F)CCCNC(C(C(F)(F)F)(F)F)=O |
| SPLASH |
splash10-000i-1390000000-6a0f92d5acc1155b73b0 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
N-(3-(5-cyano-1-(4-fluorophenyl)-1,3-dihydro-2-benzofuran-1-yl)propyl)-2,2,3,3,3-pentafluoropropanamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_011680 |
