CID 69757
720-75-2
Structural Information
- Molecular Formula
- C14H12O2
- SMILES
- COC(=O)C1=CC=C(C=C1)C2=CC=CC=C2
- InChI
- InChI=1S/C14H12O2/c1-16-14(15)13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-10H,1H3
- InChIKey
- GATUGNVDXMYTJX-UHFFFAOYSA-N
- Compound name
- methyl 4-phenylbenzoate
- 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 |