CID 130219089
2-chloro-6-fluoro-4-(hydroxymethyl)benzoic acid
Structural Information
- Molecular Formula
- C8H6ClFO3
- SMILES
- C1=C(C=C(C(=C1F)C(=O)O)Cl)CO
- InChI
- InChI=1S/C8H6ClFO3/c9-5-1-4(3-11)2-6(10)7(5)8(12)13/h1-2,11H,3H2,(H,12,13)
- InChIKey
- UDOYDFFCKHUGAH-UHFFFAOYSA-N
- Compound name
- 2-chloro-6-fluoro-4-(hydroxymethyl)benzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 205.00623 | 134.2 |
[M+Na]+ | 226.98817 | 144.7 |
[M-H]- | 202.99167 | 134.8 |
[M+NH4]+ | 222.03277 | 153.3 |
[M+K]+ | 242.96211 | 140.4 |
[M+H-H2O]+ | 186.99621 | 129.7 |
[M+HCOO]- | 248.99715 | 150.5 |
[M+CH3COO]- | 263.01280 | 179.3 |
[M+Na-2H]- | 224.97362 | 137.8 |
[M]+ | 203.99840 | 135.1 |
[M]- | 203.99950 | 135.1 |
Literature stripe
No literature data available for this compound.