CID 69231
O-tolyl benzoate
Structural Information
- Molecular Formula
- C14H12O2
- SMILES
- CC1=CC=CC=C1OC(=O)C2=CC=CC=C2
- InChI
- InChI=1S/C14H12O2/c1-11-7-5-6-10-13(11)16-14(15)12-8-3-2-4-9-12/h2-10H,1H3
- InChIKey
- YPMKPCAILYDVBN-UHFFFAOYSA-N
- Compound name
- (2-methylphenyl) benzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 213.09100 | 146.3 |
[M+Na]+ | 235.07294 | 161.5 |
[M+NH4]+ | 230.11754 | 155.6 |
[M+K]+ | 251.04688 | 153.7 |
[M-H]- | 211.07644 | 151.1 |
[M+Na-2H]- | 233.05839 | 156.6 |
[M]+ | 212.08317 | 150.0 |
[M]- | 212.08427 | 150.0 |