CID 53401047
2-fluoro-2-(m-tolyl)acetic acid
Structural Information
- Molecular Formula
- C9H9FO2
- SMILES
- CC1=CC(=CC=C1)C(C(=O)O)F
- InChI
- InChI=1S/C9H9FO2/c1-6-3-2-4-7(5-6)8(10)9(11)12/h2-5,8H,1H3,(H,11,12)
- InChIKey
- ZERGETLUHPLMRE-UHFFFAOYSA-N
- Compound name
- 2-fluoro-2-(3-methylphenyl)acetic 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 |
Literature stripe
No literature data available for this compound.