CID 10423558

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
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

patents stripe