CID 40628

5-phenylfuran-2(5h)-one

Structural Information

Molecular Formula

C₁₀H₈O₂

SMILES

C1=CC=C(C=C1)C2C=CC(=O)O2

InChI

InChI=1S/C10H8O2/c11-10-7-6-9(12-10)8-4-2-1-3-5-8/h1-7,9H

InChIKey

UXMKOLJFXKKWEQ-UHFFFAOYSA-N

Compound name

2-phenyl-2H-furan-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 160.05243 Da
Monoisotopic Mass: 1.9
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]+	161.05971	130.9
[M+Na]+	183.04165	144.7
[M+NH4]+	178.08625	140.5
[M+K]+	199.01559	139.9
[M-H]-	159.04515	136.2
[M+Na-2H]-	181.02710	139.3
[M]+	160.05188	134.4
[M]-	160.05298	134.4

Literature stripe

literature stripe

Patent stripe

patents stripe