CID 72304

Isoflavone

Structural Information

Molecular Formula

C₁₅H₁₀O₂

SMILES

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

InChI

InChI=1S/C15H10O2/c16-15-12-8-4-5-9-14(12)17-10-13(15)11-6-2-1-3-7-11/h1-10H

InChIKey

GOMNOOKGLZYEJT-UHFFFAOYSA-N

Compound name

3-phenylchromen-4-one

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 12436
References: 56715
Patents: 222.06808 Da
Monoisotopic Mass: 3.2
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]+	223.075356	145.0
[M+Na]+	245.057298	154.9
[M-H]-	221.060804	153.9
[M+NH4]+	240.101903	163.0
[M+K]+	261.031238	151.7
[M+H-H2O]+	205.065340	137.6
[M+HCOO]-	267.066281	168.6
[M+CH3COO]-	281.081931	159.2
[M+Na-2H]-	243.042746	155.0
[M]+	222.06753142	146.6
[M]-	222.06862858	146.6

Literature stripe

literature stripe

Patent stripe

patents stripe