CID 2063866
3-(2-fluorophenyl)propionic acid
Structural Information
- Molecular Formula
- C9H9FO2
- SMILES
- C1=CC=C(C(=C1)CCC(=O)O)F
- InChI
- InChI=1S/C9H9FO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4H,5-6H2,(H,11,12)
- InChIKey
- GUZLQEOSDXLCKX-UHFFFAOYSA-N
- Compound name
- 3-(2-fluorophenyl)propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 169.06593 | 134.4 |
[M+Na]+ | 191.04787 | 146.0 |
[M+NH4]+ | 186.09247 | 141.9 |
[M+K]+ | 207.02181 | 140.2 |
[M-H]- | 167.05137 | 134.3 |
[M+Na-2H]- | 189.03332 | 140.1 |
[M]+ | 168.05810 | 135.8 |
[M]- | 168.05920 | 135.8 |