CID 2773978
147404-69-1
Structural Information
- Molecular Formula
- C14H12O2
- SMILES
- CC1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)O
- InChI
- InChI=1S/C14H12O2/c1-10-5-7-11(8-6-10)12-3-2-4-13(9-12)14(15)16/h2-9H,1H3,(H,15,16)
- InChIKey
- APYJGQZXCGXMGB-UHFFFAOYSA-N
- Compound name
- 3-(4-methylphenyl)benzoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 213.09100 | 146.4 |
[M+Na]+ | 235.07294 | 161.4 |
[M+NH4]+ | 230.11754 | 155.2 |
[M+K]+ | 251.04688 | 154.1 |
[M-H]- | 211.07644 | 150.7 |
[M+Na-2H]- | 233.05839 | 155.8 |
[M]+ | 212.08317 | 149.9 |
[M]- | 212.08427 | 149.9 |