CID 10680

Flavone

Structural Information

Molecular Formula

C₁₅H₁₀O₂

SMILES

C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2

InChI

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

InChIKey

VHBFFQKBGNRLFZ-UHFFFAOYSA-N

Compound name

2-phenylchromen-4-one

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 1699
References: 96658
Patents: 222.06808 Da
Monoisotopic Mass: 3.6
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]+	223.07536	145.0
[M+Na]+	245.05730	154.9
[M-H]-	221.06080	153.9
[M+NH4]+	240.10190	163.0
[M+K]+	261.03124	151.7
[M+H-H2O]+	205.06534	137.6
[M+HCOO]-	267.06628	168.6
[M+CH3COO]-	281.08193	159.2
[M+Na-2H]-	243.04275	155.0
[M]+	222.06753	146.6
[M]-	222.06863	146.6

Literature stripe

literature stripe

Patent stripe

patents stripe