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

compound 2d structure

7
Annotation Hits: 469
References: 107930
Patents: 212.08372 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	213.09100	146.2
[M+Na]+	235.07294	152.0
[M-H]-	211.07644	151.4
[M+NH4]+	230.11754	163.5
[M+K]+	251.04688	148.7
[M+H-H2O]+	195.08098	139.2
[M+HCOO]-	257.08192	167.8
[M+CH3COO]-	271.09757	184.4
[M+Na-2H]-	233.05839	151.4
[M]+	212.08317	144.3
[M]-	212.08427	144.3

Literature stripe

literature stripe

Patent stripe

patents stripe