| SpectraBase Spectrum ID |
Ib1n9P0xHmJ |
| Name |
Citalopram |
| CAS Registry Number |
59729-33-8 |
| Collision Energy |
50 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
324.163791466 u |
| Formula |
C20H21FN2O |
| InChI |
InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3 |
| InChIKey |
WSEQXVZVJXJVFP-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
324.399 g/mol |
| Nominal Mass |
324 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
325.171 |
| SMILES |
C1(F)=CC=C(C2(OCC3=C2C=CC(=C3)C#N)CCCN(C)C)C=C1 |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_217.8 |
