CID 5466139

7,8,4'-trihydroxyisoflavone

Structural Information

Molecular Formula
C15H10O5
SMILES
C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3O)O)O
InChI
InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-15-10(13(11)18)5-6-12(17)14(15)19/h1-7,16-17,19H
InChIKey
BMZFZTMWBCFKSS-UHFFFAOYSA-N
Compound name
7,8-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

36
References

293
Patents

270.05283 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.06011 155.9
[M+Na]+ 293.04205 166.7
[M-H]- 269.04555 161.9
[M+NH4]+ 288.08665 170.4
[M+K]+ 309.01599 163.2
[M+H-H2O]+ 253.05009 149.0
[M+HCOO]- 315.05103 175.4
[M+CH3COO]- 329.06668 168.6
[M+Na-2H]- 291.02750 162.6
[M]+ 270.05228 157.9
[M]- 270.05338 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