CID 5282074

2'-hydroxygenistein

Structural Information

Molecular Formula

C₁₅H₁₀O₆

SMILES

C1=CC(=C(C=C1O)O)C2=COC3=CC(=CC(=C3C2=O)O)O

InChI

InChI=1S/C15H10O6/c16-7-1-2-9(11(18)3-7)10-6-21-13-5-8(17)4-12(19)14(13)15(10)20/h1-6,16-19H

InChIKey

GSSOWCUOWLMMRJ-UHFFFAOYSA-N

Compound name

3-(2,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 25
References: 82
Patents: 286.04773 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

literature stripe

Patent stripe

patents stripe