CID 5284648

3',4',7-trihydroxyisoflavone

Structural Information

Molecular Formula
C15H10O5
SMILES
C1=CC(=C(C=C1C2=COC3=C(C2=O)C=CC(=C3)O)O)O
InChI
InChI=1S/C15H10O5/c16-9-2-3-10-14(6-9)20-7-11(15(10)19)8-1-4-12(17)13(18)5-8/h1-7,16-18H
InChIKey
DDKGKOOLFLYZDL-UHFFFAOYSA-N
Compound name
3-(3,4-dihydroxyphenyl)-7-hydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

52
References

341
Patents

270.05283 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.060106 155.9
[M+Na]+ 293.042048 166.7
[M-H]- 269.045554 161.9
[M+NH4]+ 288.086653 170.4
[M+K]+ 309.015988 163.2
[M+H-H2O]+ 253.050090 149.0
[M+HCOO]- 315.051031 175.4
[M+CH3COO]- 329.066681 168.6
[M+Na-2H]- 291.027496 162.6
[M]+ 270.05228142 157.9
[M]- 270.05337858 157.9
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