CID 19910294

2,4,6,3',5'-pentahydroxybenzophenone

Structural Information

Molecular Formula
C13H10O6
SMILES
C1=C(C=C(C=C1O)O)C(=O)C2=C(C=C(C=C2O)O)O
InChI
InChI=1S/C13H10O6/c14-7-1-6(2-8(15)3-7)13(19)12-10(17)4-9(16)5-11(12)18/h1-5,14-18H
InChIKey
UQRUMZDBXRBEPM-UHFFFAOYSA-N
Compound name
(3,5-dihydroxyphenyl)-(2,4,6-trihydroxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

38
Patents

262.04773 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.05501 153.8
[M+Na]+ 285.03695 162.4
[M-H]- 261.04045 155.3
[M+NH4]+ 280.08155 167.3
[M+K]+ 301.01089 158.6
[M+H-H2O]+ 245.04499 147.7
[M+HCOO]- 307.04593 171.1
[M+CH3COO]- 321.06158 186.6
[M+Na-2H]- 283.02240 155.4
[M]+ 262.04718 152.6
[M]- 262.04828 152.6
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