| SpectraBase Spectrum ID |
7FV2NkTfruM |
| Name |
Chlortalidone |
| CAS Registry Number |
77-36-1 |
| Collision Energy |
15 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
338.012805712 u |
| Formula |
C14H11ClN2O4S |
| InChI |
InChI=1S/C14H11ClN2O4S/c15-11-6-5-8(7-12(11)22(16,20)21)14(19)10-4-2-1-3-9(10)13(18)17-14/h1-7,19H,(H,17,18)(H2,16,20,21) |
| InChIKey |
JIVPVXMEBJLZRO-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
338.765 g/mol |
| Nominal Mass |
338 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
339.02 |
| SMILES |
NS(C=1C=C(C2(O)NC(C=3C2=CC=CC3)=O)C=CC1Cl)(=O)=O |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
2-chloro-5-(1-hydroxy-3-oxo-2H-isoindol-1-yl)benzenesulfonamide |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_207.2 |
