CID 246682
3-fluoro-2-methylbenzoic acid
Structural Information
- Molecular Formula
- C8H7FO2
- SMILES
- CC1=C(C=CC=C1F)C(=O)O
- InChI
- InChI=1S/C8H7FO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4H,1H3,(H,10,11)
- InChIKey
- XMKZAIHFVHJGPV-UHFFFAOYSA-N
- Compound name
- 3-fluoro-2-methylbenzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 155.05029 | 126.3 |
[M+Na]+ | 177.03223 | 135.7 |
[M-H]- | 153.03573 | 128.1 |
[M+NH4]+ | 172.07683 | 147.1 |
[M+K]+ | 193.00617 | 133.7 |
[M+H-H2O]+ | 137.04027 | 120.7 |
[M+HCOO]- | 199.04121 | 148.4 |
[M+CH3COO]- | 213.05686 | 174.6 |
[M+Na-2H]- | 175.01768 | 131.5 |
[M]+ | 154.04246 | 125.2 |
[M]- | 154.04356 | 125.2 |