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

4248
Patents

124.016045 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.