CID 2345
Benzyl benzoate
Structural Information
- Molecular Formula
- C14H12O2
- SMILES
- C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2
- InChI
- InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2
- InChIKey
- SESFRYSPDFLNCH-UHFFFAOYSA-N
- Compound name
- benzyl benzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 213.09100 | 146.0 |
[M+Na]+ | 235.07294 | 152.6 |
[M-H]- | 211.07644 | 152.5 |
[M+NH4]+ | 230.11754 | 164.1 |
[M+K]+ | 251.04688 | 149.7 |
[M+H-H2O]+ | 195.08098 | 138.6 |
[M+HCOO]- | 257.08192 | 170.0 |
[M+CH3COO]- | 271.09757 | 185.5 |
[M+Na-2H]- | 233.05839 | 152.8 |
[M]+ | 212.08317 | 146.5 |
[M]- | 212.08427 | 146.5 |