CID 5466141

6,7,3',4'-tetrahydroxyisoflavone

Structural Information

Molecular Formula
C15H10O6
SMILES
C1=CC(=C(C=C1C2=COC3=CC(=C(C=C3C2=O)O)O)O)O
InChI
InChI=1S/C15H10O6/c16-10-2-1-7(3-11(10)17)9-6-21-14-5-13(19)12(18)4-8(14)15(9)20/h1-6,16-19H
InChIKey
QMMUPEDRUCMYIY-UHFFFAOYSA-N
Compound name
3-(3,4-dihydroxyphenyl)-6,7-dihydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

65
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 159.5
[M+Na]+ 309.03695 170.4
[M-H]- 285.04045 164.4
[M+NH4]+ 304.08155 172.7
[M+K]+ 325.01089 167.0
[M+H-H2O]+ 269.04499 152.6
[M+HCOO]- 331.04593 177.4
[M+CH3COO]- 345.06158 193.5
[M+Na-2H]- 307.02240 165.1
[M]+ 286.04718 161.5
[M]- 286.04828 161.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.