CID 254

Biphenyl-2,3-diol

Structural Information

Molecular Formula

C₁₂H₁₀O₂

SMILES

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

InChI

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

InChIKey

YKOQAAJBYBTSBS-UHFFFAOYSA-N

Compound name

3-phenylbenzene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 52
References: 8253
Patents: 186.06808 Da
Monoisotopic Mass: 2.7
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]+	187.07536	138.6
[M+Na]+	209.05730	153.8
[M+NH4]+	204.10190	147.9
[M+K]+	225.03124	146.5
[M-H]-	185.06080	143.0
[M+Na-2H]-	207.04275	148.4
[M]+	186.06753	142.1
[M]-	186.06863	142.1

Literature stripe

literature stripe

Patent stripe

patents stripe