| SpectraBase Spectrum ID |
8Do4PGQc2cq |
| Name |
Sertraline |
| CAS Registry Number |
79617-96-2 |
| Collision Energy |
35 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
305.073804951 u |
| Formula |
C17H17Cl2N |
| InChI |
InChI=1S/C17H17Cl2N/c1-20-17-9-7-12(13-4-2-3-5-14(13)17)11-6-8-15(18)16(19)10-11/h2-6,8,10,12,17,20H,7,9H2,1H3 |
| InChIKey |
VGKDLMBJGBXTGI-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
306.236 g/mol |
| Nominal Mass |
305 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
306.081 |
| SMILES |
N(C1CCC(C=2C1=CC=CC2)C1=CC(Cl)=C(Cl)C=C1)C |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_869.6 |
