| SpectraBase Spectrum ID |
Ket9lRe471G |
| Name |
Dinitrobenzoic acid |
| CAS Registry Number |
99-34-3 |
| Collision Energy |
10 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
212.006935851 u |
| Formula |
C7H4N2O6 |
| InChI |
InChI=1S/C7H4N2O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H,(H,10,11) |
| InChIKey |
VYWYYJYRVSBHJQ-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
N |
| Ionization Type |
ESI- |
| Molecular Weight |
212.117 g/mol |
| Nominal Mass |
212 u |
| Precursor Ion |
[M-H]- |
| Precursor m/z |
211 |
| SMILES |
OC(=O)C1=CC(N(=O)=O)=CC(N(=O)=O)=C1 |
| Selected Ion Charge |
-1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
3,5-dinitrobenzoic acid |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_-_58.1 |
