CID 83050

3-hydroxybenzophenone

Structural Information

Molecular Formula

C₁₃H₁₀O₂

SMILES

C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)O

InChI

InChI=1S/C13H10O2/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9,14H

InChIKey

SHULEACXTONYPS-UHFFFAOYSA-N

Compound name

(3-hydroxyphenyl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 8
References: 2564
Patents: 198.06808 Da
Monoisotopic Mass: 3.0
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]+	199.075356	140.9
[M+Na]+	221.057298	148.5
[M-H]-	197.060804	146.6
[M+NH4]+	216.101903	159.2
[M+K]+	237.031238	144.9
[M+H-H2O]+	181.065340	134.3
[M+HCOO]-	243.066281	163.9
[M+CH3COO]-	257.081931	181.7
[M+Na-2H]-	219.042746	147.2
[M]+	198.06753142	139.7
[M]-	198.06862858	139.7

Literature stripe

literature stripe

Patent stripe

patents stripe