CID 116929
Benzoic acid, 2-amino-6-hydroxy-4-nitro-
Structural Information
- Molecular Formula
- C7H6N2O5
- SMILES
- C1=C(C=C(C(=C1N)C(=O)O)O)[N+](=O)[O-]
- InChI
- InChI=1S/C7H6N2O5/c8-4-1-3(9(13)14)2-5(10)6(4)7(11)12/h1-2,10H,8H2,(H,11,12)
- InChIKey
- GCRDMLNPZBHKGD-UHFFFAOYSA-N
- Compound name
- 2-amino-6-hydroxy-4-nitrobenzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 199.03494 | 134.2 |
[M+Na]+ | 221.01688 | 141.9 |
[M-H]- | 197.02038 | 135.7 |
[M+NH4]+ | 216.06148 | 150.8 |
[M+K]+ | 236.99082 | 136.0 |
[M+H-H2O]+ | 181.02492 | 133.3 |
[M+HCOO]- | 243.02586 | 157.7 |
[M+CH3COO]- | 257.04151 | 174.9 |
[M+Na-2H]- | 219.00233 | 139.8 |
[M]+ | 198.02711 | 130.7 |
[M]- | 198.02821 | 130.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.