CID 68855208

3'-hydroxyisoflavone

Structural Information

Molecular Formula

C₁₅H₁₀O₃

SMILES

C1=CC=C2C(=C1)C(=O)C(=CO2)C3=CC(=CC=C3)O

InChI

InChI=1S/C15H10O3/c16-11-5-3-4-10(8-11)13-9-18-14-7-2-1-6-12(14)15(13)17/h1-9,16H

InChIKey

GNONLGDZYWDMIW-UHFFFAOYSA-N

Compound name

3-(3-hydroxyphenyl)chromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 238.06299 Da
Monoisotopic Mass: 2.8
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]+	239.070266	148.7
[M+Na]+	261.052208	159.0
[M-H]-	237.055714	156.7
[M+NH4]+	256.096813	165.6
[M+K]+	277.026148	155.6
[M+H-H2O]+	221.060250	141.5
[M+HCOO]-	283.061191	171.0
[M+CH3COO]-	297.076841	162.4
[M+Na-2H]-	259.037656	157.6
[M]+	238.06244142	150.4
[M]-	238.06353858	150.4

Literature stripe

literature stripe

Patent stripe

patents stripe