CID 8400
Benzoin
Structural Information
- Molecular Formula
- C14H12O2
- SMILES
- C1=CC=C(C=C1)C(C(=O)C2=CC=CC=C2)O
- InChI
- InChI=1S/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H
- InChIKey
- ISAOCJYIOMOJEB-UHFFFAOYSA-N
- Compound name
- 2-hydroxy-1,2-diphenylethanone
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 213.09100 | 147.1 |
[M+Na]+ | 235.07294 | 161.0 |
[M+NH4]+ | 230.11754 | 155.9 |
[M+K]+ | 251.04688 | 154.1 |
[M-H]- | 211.07644 | 151.2 |
[M+Na-2H]- | 233.05839 | 156.6 |
[M]+ | 212.08317 | 150.3 |
[M]- | 212.08427 | 150.3 |