| SpectraBase Spectrum ID |
Df04zqpGqjQ |
| Name |
Niclosamid |
| CAS Registry Number |
50-65-7 |
| Collision Energy |
45 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
325.986112142 u |
| Formula |
C13H8Cl2N2O4 |
| InChI |
InChI=1S/C13H8Cl2N2O4/c14-7-1-4-12(18)9(5-7)13(19)16-11-3-2-8(17(20)21)6-10(11)15/h1-6,18H,(H,16,19) |
| InChIKey |
RJMUSRYZPJIFPJ-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
N |
| Ionization Type |
ESI- |
| Molecular Weight |
327.123 g/mol |
| Nominal Mass |
326 u |
| Precursor Ion |
[M-H]- |
| Precursor m/z |
324.979 |
| SMILES |
N(C1=C(Cl)C=C(N(=O)=O)C=C1)C(C1=C(O)C=CC(=C1)Cl)=O |
| Selected Ion Charge |
-1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
5-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxybenzamide |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_-_99.8 |
