CID 151011

2-hydroxy-1,4-benzoquinone

Structural Information

Molecular Formula

C₆H₄O₃

SMILES

C1=CC(=O)C(=CC1=O)O

InChI

InChI=1S/C6H4O3/c7-4-1-2-5(8)6(9)3-4/h1-3,9H

InChIKey

GPLIMIJPIZGPIF-UHFFFAOYSA-N

Compound name

2-hydroxycyclohexa-2,5-diene-1,4-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 10
References: 4162
Patents: 124.016045 Da
Monoisotopic Mass: 0.2
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]+	125.02332	117.6
[M+Na]+	147.00526	127.2
[M-H]-	123.00877	120.8
[M+NH4]+	142.04987	139.5
[M+K]+	162.97920	125.8
[M+H-H2O]+	107.01330	113.1
[M+HCOO]-	169.01425	141.3
[M+CH3COO]-	183.02990	166.5
[M+Na-2H]-	144.99071	124.8
[M]+	124.01550	116.8
[M]-	124.01659	116.8

Literature stripe

literature stripe

Patent stripe

patents stripe