CID 162345091

Ns00132748

Structural Information

Molecular Formula
C12H8O4
SMILES
C1=CC=C(C(=C1)C2=CC(=O)C=C(C2=O)O)O
InChI
InChI=1S/C12H8O4/c13-7-5-9(12(16)11(15)6-7)8-3-1-2-4-10(8)14/h1-6,14-15H
InChIKey
DEXSCCZAYOCAKU-UHFFFAOYSA-N
Compound name
2-hydroxy-6-(2-hydroxyphenyl)cyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.04225 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.049526 141.9
[M+Na]+ 239.031468 151.6
[M-H]- 215.034974 147.2
[M+NH4]+ 234.076073 159.5
[M+K]+ 255.005408 147.9
[M+H-H2O]+ 199.039510 135.9
[M+HCOO]- 261.040451 163.8
[M+CH3COO]- 275.056101 182.7
[M+Na-2H]- 237.016916 146.5
[M]+ 216.04170142 141.2
[M]- 216.04279858 141.2
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.