CID 458191

Bis(3,4-dihydroxyphenyl)methanone

Structural Information

Molecular Formula
C13H10O5
SMILES
C1=CC(=C(C=C1C(=O)C2=CC(=C(C=C2)O)O)O)O
InChI
InChI=1S/C13H10O5/c14-9-3-1-7(5-11(9)16)13(18)8-2-4-10(15)12(17)6-8/h1-6,14-17H
InChIKey
XZXMWAHILBWKBI-UHFFFAOYSA-N
Compound name
bis(3,4-dihydroxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

123
Patents

246.05283 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.06011 150.7
[M+Na]+ 269.04205 159.1
[M-H]- 245.04555 153.3
[M+NH4]+ 264.08665 165.4
[M+K]+ 285.01599 155.2
[M+H-H2O]+ 229.05009 144.5
[M+HCOO]- 291.05103 169.5
[M+CH3COO]- 305.06668 184.9
[M+Na-2H]- 267.02750 153.4
[M]+ 246.05228 149.5
[M]- 246.05338 149.5
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.