CID 5378260

7,8,2',4'-tetrahydroxyisoflavone

Structural Information

Molecular Formula

C₁₅H₁₀O₆

SMILES

C1=CC(=C(C=C1O)O)C2=COC3=C(C2=O)C=CC(=C3O)O

InChI

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

InChIKey

MMEMQPVSEZVECO-UHFFFAOYSA-N

Compound name

3-(2,4-dihydroxyphenyl)-7,8-dihydroxychromen-4-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 286.04773 Da
Monoisotopic Mass: 1.8
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]+	287.055006	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

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.