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: 8
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]+	161.059706	129.3
[M+Na]+	183.041648	137.9
[M-H]-	159.045154	137.1
[M+NH4]+	178.086253	150.5
[M+K]+	199.015588	136.9
[M+H-H2O]+	143.049690	123.7
[M+HCOO]-	205.050631	154.2
[M+CH3COO]-	219.066281	174.5
[M+Na-2H]-	181.027096	136.4
[M]+	160.05188142	129.6
[M]-	160.05297858	129.6

Literature stripe

literature stripe

Patent stripe

patents stripe