CID 42604622

7,8,3',4'-tetrahydroxyisoflavone

Structural Information

Molecular Formula
C15H10O6
SMILES
C1=CC(=C(C=C1C2=COC3=C(C2=O)C=CC(=C3O)O)O)O
InChI
InChI=1S/C15H10O6/c16-10-3-1-7(5-12(10)18)9-6-21-15-8(13(9)19)2-4-11(17)14(15)20/h1-6,16-18,20H
InChIKey
VMOBWBRUROXCOO-UHFFFAOYSA-N
Compound name
3-(3,4-dihydroxyphenyl)-7,8-dihydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

43
Patents

286.04773 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.05501 160.6
[M+Na]+ 309.03695 175.9
[M+NH4]+ 304.08155 167.1
[M+K]+ 325.01089 171.1
[M-H]- 285.04045 164.4
[M+Na-2H]- 307.02240 166.4
[M]+ 286.04718 163.8
[M]- 286.04828 163.8
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