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

literature stripe

Patent stripe

patents stripe