| SpectraBase Spectrum ID |
JWbcL1IieDZ |
| Name |
Chlortalidone_neg |
| CAS Registry Number |
77-36-1 |
| Collision Gas |
N2 |
| Comments |
FTMS - p ESI d Full ms2 [email protected] [50.00-360.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| 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 |
| Inlet Type |
UHPLC |
| Instrument Name |
Thermo Fisher Q Exactive Orbitrap |
| Ion Polarity |
N |
| Ionization Type |
HESI |
| Precursor Ion |
[M-H]- |
| SMILES |
NS(C=1C(=CC=C(C2(C=3C=CC=CC3C(=O)N2)O)C1)Cl)(=O)=O |
| Sample Comments |
The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database. |
| Selected Ion Charge |
-1 |
| Source of Spectrum |
Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar |
| Spectrum Type |
ms2 |
| Technique |
HCD |
