CID 74656
(3-nitrophenoxy)acetic acid
Structural Information
- Molecular Formula
- C8H7NO5
- SMILES
- C1=CC(=CC(=C1)OCC(=O)O)[N+](=O)[O-]
- InChI
- InChI=1S/C8H7NO5/c10-8(11)5-14-7-3-1-2-6(4-7)9(12)13/h1-4H,5H2,(H,10,11)
- InChIKey
- BNRRQAASFDGMMQ-UHFFFAOYSA-N
- Compound name
- 2-(3-nitrophenoxy)acetic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 198.03970 | 136.6 |
[M+Na]+ | 220.02164 | 143.4 |
[M-H]- | 196.02514 | 139.2 |
[M+NH4]+ | 215.06624 | 154.1 |
[M+K]+ | 235.99558 | 138.5 |
[M+H-H2O]+ | 180.02968 | 135.3 |
[M+HCOO]- | 242.03062 | 161.0 |
[M+CH3COO]- | 256.04627 | 173.8 |
[M+Na-2H]- | 218.00709 | 144.0 |
[M]+ | 197.03187 | 136.4 |
[M]- | 197.03297 | 136.4 |