CID 95365

3-phenylphthalide

Structural Information

Molecular Formula

C₁₄H₁₀O₂

SMILES

C1=CC=C(C=C1)C2C3=CC=CC=C3C(=O)O2

InChI

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

InChIKey

SQFMIHCARVMICF-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 8
References: 375
Patents: 210.06808 Da
Monoisotopic Mass: 2.6
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]+	211.07536	143.4
[M+Na]+	233.05730	158.8
[M+NH4]+	228.10190	153.6
[M+K]+	249.03124	152.7
[M-H]-	209.06080	149.9
[M+Na-2H]-	231.04275	151.9
[M]+	210.06753	147.6
[M]-	210.06863	147.6

Literature stripe

literature stripe

Patent stripe

patents stripe