CID 2723915
2-(4-fluorophenyl)propanoic acid
Structural Information
- Molecular Formula
- C9H9FO2
- SMILES
- CC(C1=CC=C(C=C1)F)C(=O)O
- InChI
- InChI=1S/C9H9FO2/c1-6(9(11)12)7-2-4-8(10)5-3-7/h2-6H,1H3,(H,11,12)
- InChIKey
- IXSCGBODJGIJNN-UHFFFAOYSA-N
- Compound name
- 2-(4-fluorophenyl)propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 169.06593 | 134.5 |
[M+Na]+ | 191.04787 | 145.7 |
[M+NH4]+ | 186.09247 | 141.9 |
[M+K]+ | 207.02181 | 140.7 |
[M-H]- | 167.05137 | 134.2 |
[M+Na-2H]- | 189.03332 | 139.9 |
[M]+ | 168.05810 | 135.8 |
[M]- | 168.05920 | 135.8 |