CID 14116

Phenylhydroquinone

Structural Information

Molecular Formula

C₁₂H₁₀O₂

SMILES

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

InChI

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

InChIKey

XCZKKZXWDBOGPA-UHFFFAOYSA-N

Compound name

2-phenylbenzene-1,4-diol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 39
References: 9268
Patents: 186.06808 Da
Monoisotopic Mass: 3.2
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