CID 11421

1,2-benzoquinone

Structural Information

Molecular Formula
C6H4O2
SMILES
C1=CC(=O)C(=O)C=C1
InChI
InChI=1S/C6H4O2/c7-5-3-1-2-4-6(5)8/h1-4H
InChIKey
WOAHJDHKFWSLKE-UHFFFAOYSA-N
Compound name
cyclohexa-3,5-diene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

428
References

13628
Patents

108.021126 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 109.02840 114.3
[M+Na]+ 131.01034 123.5
[M-H]- 107.01385 118.6
[M+NH4]+ 126.05495 137.3
[M+K]+ 146.98428 122.5
[M+H-H2O]+ 91.018386 109.6
[M+HCOO]- 153.01933 139.4
[M+CH3COO]- 167.03498 165.9
[M+Na-2H]- 128.99579 122.7
[M]+ 108.02058 113.6
[M]- 108.02167 113.6
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.