CID 130066873
3-fluoro-4-(methylcarbamoyl)benzoicacid
Structural Information
- Molecular Formula
- C9H8FNO3
- SMILES
- CNC(=O)C1=C(C=C(C=C1)C(=O)O)F
- InChI
- InChI=1S/C9H8FNO3/c1-11-8(12)6-3-2-5(9(13)14)4-7(6)10/h2-4H,1H3,(H,11,12)(H,13,14)
- InChIKey
- MPTGYTLHMFRIEC-UHFFFAOYSA-N
- Compound name
- 3-fluoro-4-(methylcarbamoyl)benzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 198.05611 | 140.3 |
[M+Na]+ | 220.03805 | 150.1 |
[M+NH4]+ | 215.08265 | 146.2 |
[M+K]+ | 236.01199 | 146.2 |
[M-H]- | 196.04155 | 139.4 |
[M+Na-2H]- | 218.02350 | 144.5 |
[M]+ | 197.04828 | 141.0 |
[M]- | 197.04938 | 141.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.