| SpectraBase Spectrum ID |
8fHWsGnltwX |
| Name |
Benzbromarone |
| CAS Registry Number |
3562-84-3 |
| Collision Energy |
30 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
421.915320243 u |
| Formula |
C17H12Br2O3 |
| InChI |
InChI=1S/C17H12Br2O3/c1-2-13-15(10-5-3-4-6-14(10)22-13)16(20)9-7-11(18)17(21)12(19)8-9/h3-8,21H,2H2,1H3 |
| InChIKey |
WHQCHUCQKNIQEC-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
N |
| Ionization Type |
ESI- |
| Molecular Weight |
424.088 g/mol |
| Nominal Mass |
422 u |
| Precursor Ion |
[M-H]- |
| Precursor m/z |
420.908 |
| SMILES |
OC=1C(Br)=CC(C(=O)C=2C=3C(OC2CC)=CC=CC3)=CC1Br |
| Selected Ion Charge |
-1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
(3,5-dibromo-4-hydroxyphenyl)-(2-ethyl-1-benzofuran-3-yl)methanone |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_-_30.5 |
