CID 226652

3-phenyl-2-benzofuranone

Structural Information

Molecular Formula

C₁₄H₁₀O₂

SMILES

C1=CC=C(C=C1)C2C3=CC=CC=C3OC2=O

InChI

InChI=1S/C14H10O2/c15-14-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)16-14/h1-9,13H

InChIKey

NANGQJICIOUURV-UHFFFAOYSA-N

Compound name

3-phenyl-3H-1-benzofuran-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 426
Patents: 210.06808 Da
Monoisotopic Mass: 3.0
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]+	211.07536	142.5
[M+Na]+	233.05730	151.8
[M-H]-	209.06080	151.3
[M+NH4]+	228.10190	162.9
[M+K]+	249.03124	149.1
[M+H-H2O]+	193.06534	136.4
[M+HCOO]-	255.06628	165.9
[M+CH3COO]-	269.08193	156.9
[M+Na-2H]-	231.04275	149.4
[M]+	210.06753	143.3
[M]-	210.06863	143.3

Literature stripe

literature stripe

Patent stripe

patents stripe