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

62
Patents

286.04773 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.055006 159.5
[M+Na]+ 309.036948 170.4
[M-H]- 285.040454 164.4
[M+NH4]+ 304.081553 172.7
[M+K]+ 325.010888 167.0
[M+H-H2O]+ 269.044990 152.6
[M+HCOO]- 331.045931 177.4
[M+CH3COO]- 345.061581 193.5
[M+Na-2H]- 307.022396 165.1
[M]+ 286.04718142 161.5
[M]- 286.04827858 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

literature stripe

Patent stripe

patents stripe