CID 172407851

Chebi:231975

Structural Information

Molecular Formula
C6H5NO4
SMILES
C1=CC(=O)C=C(C1O)[N+](=O)[O-]
InChI
InChI=1S/C6H5NO4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,6,9H
InChIKey
VKVNLBBPIMOZAK-UHFFFAOYSA-N
Compound name
4-hydroxy-3-nitrocyclohexa-2,5-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.02185 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.02913 126.1
[M+Na]+ 178.01107 138.7
[M+NH4]+ 173.05567 133.8
[M+K]+ 193.98501 136.7
[M-H]- 154.01457 128.2
[M+Na-2H]- 175.99652 131.5
[M]+ 155.02130 128.2
[M]- 155.02240 128.2
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.