CID 57498439

2,3',4,5'-tetrahydroxy-6-methoxybenzophenone

Structural Information

Molecular Formula
C14H12O6
SMILES
COC1=CC(=CC(=C1C(=O)C2=CC(=CC(=C2)O)O)O)O
InChI
InChI=1S/C14H12O6/c1-20-12-6-10(17)5-11(18)13(12)14(19)7-2-8(15)4-9(16)3-7/h2-6,15-18H,1H3
InChIKey
OZBFVIWHTTZQFK-UHFFFAOYSA-N
Compound name
(2,4-dihydroxy-6-methoxyphenyl)-(3,5-dihydroxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

276.0634 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.07068 157.6
[M+Na]+ 299.05262 166.3
[M-H]- 275.05612 160.3
[M+NH4]+ 294.09722 171.3
[M+K]+ 315.02656 163.0
[M+H-H2O]+ 259.06066 151.1
[M+HCOO]- 321.06160 176.2
[M+CH3COO]- 335.07725 191.6
[M+Na-2H]- 297.03807 159.2
[M]+ 276.06285 158.6
[M]- 276.06395 158.6
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

No patent data available for this compound.