CID 8167074
2,6-dimethyl-4-fluorobenzoic acid
Structural Information
- Molecular Formula
- C9H9FO2
- SMILES
- CC1=CC(=CC(=C1C(=O)O)C)F
- InChI
- InChI=1S/C9H9FO2/c1-5-3-7(10)4-6(2)8(5)9(11)12/h3-4H,1-2H3,(H,11,12)
- InChIKey
- PQYFAAZGSGZNGG-UHFFFAOYSA-N
- Compound name
- 4-fluoro-2,6-dimethylbenzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 169.06593 | 134.1 |
[M+Na]+ | 191.04787 | 146.4 |
[M+NH4]+ | 186.09247 | 141.6 |
[M+K]+ | 207.02181 | 141.0 |
[M-H]- | 167.05137 | 134.1 |
[M+Na-2H]- | 189.03332 | 139.4 |
[M]+ | 168.05810 | 135.7 |
[M]- | 168.05920 | 135.7 |