CID 5280551

2'-hydroxyformononetin

Structural Information

Molecular Formula

C₁₆H₁₂O₅

SMILES

COC1=CC(=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O

InChI

InChI=1S/C16H12O5/c1-20-10-3-5-11(14(18)7-10)13-8-21-15-6-9(17)2-4-12(15)16(13)19/h2-8,17-18H,1H3

InChIKey

XKHHKXCBFHUOHM-UHFFFAOYSA-N

Compound name

7-hydroxy-3-(2-hydroxy-4-methoxyphenyl)chromen-4-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 7
References: 93
Patents: 284.06848 Da
Monoisotopic Mass: 2.4
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]+	285.07576	160.2
[M+Na]+	307.05770	170.9
[M-H]-	283.06120	167.4
[M+NH4]+	302.10230	174.8
[M+K]+	323.03164	168.1
[M+H-H2O]+	267.06574	152.7
[M+HCOO]-	329.06668	180.8
[M+CH3COO]-	343.08233	197.0
[M+Na-2H]-	305.04315	166.8
[M]+	284.06793	164.2
[M]-	284.06903	164.2

Literature stripe

literature stripe

Patent stripe

patents stripe