CID 15007745

3796-74-5

Structural Information

Molecular Formula

C₁₂H₁₀O₂

SMILES

C1=CC=C(C=C1)C2=C(C=CC=C2O)O

InChI

InChI=1S/C12H10O2/c13-10-7-4-8-11(14)12(10)9-5-2-1-3-6-9/h1-8,13-14H

InChIKey

UPXZHXVOMCGZDS-UHFFFAOYSA-N

Compound name

2-phenylbenzene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1596
Patents: 186.06808 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]+	187.075356	137.4
[M+Na]+	209.057298	145.9
[M-H]-	185.060804	142.2
[M+NH4]+	204.101903	156.0
[M+K]+	225.031238	141.8
[M+H-H2O]+	169.065340	131.3
[M+HCOO]-	231.066281	160.0
[M+CH3COO]-	245.081931	177.2
[M+Na-2H]-	207.042746	144.3
[M]+	186.06753142	135.8
[M]-	186.06862858	135.8

Literature stripe

literature stripe

Patent stripe

patents stripe