CID 289739

3,4,5-trihydroxybenzophenone

Structural Information

Molecular Formula
C13H10O4
SMILES
C1=CC=C(C=C1)C(=O)C2=CC(=C(C(=C2)O)O)O
InChI
InChI=1S/C13H10O4/c14-10-6-9(7-11(15)13(10)17)12(16)8-4-2-1-3-5-8/h1-7,14-15,17H
InChIKey
NOAFJSWVIVQQQM-UHFFFAOYSA-N
Compound name
phenyl-(3,4,5-trihydroxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

86
Patents

230.0579 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.06518 147.5
[M+Na]+ 253.04712 155.7
[M-H]- 229.05062 151.1
[M+NH4]+ 248.09172 163.4
[M+K]+ 269.02106 151.8
[M+H-H2O]+ 213.05516 141.2
[M+HCOO]- 275.05610 167.7
[M+CH3COO]- 289.07175 183.5
[M+Na-2H]- 251.03257 151.4
[M]+ 230.05735 146.3
[M]- 230.05845 146.3
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