CID 13111189

2-phenyloxetan-3-one

Structural Information

Molecular Formula

C₉H₈O₂

SMILES

C1C(=O)C(O1)C2=CC=CC=C2

InChI

InChI=1S/C9H8O2/c10-8-6-11-9(8)7-4-2-1-3-5-7/h1-5,9H,6H2

InChIKey

YUZXDOLBTJJCDY-UHFFFAOYSA-N

Compound name

2-phenyloxetan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 148.05243 Da
Monoisotopic Mass: 1.4
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]+	149.05971	124.2
[M+Na]+	171.04165	133.6
[M+NH4]+	166.08625	129.6
[M+K]+	187.01559	129.6
[M-H]-	147.04515	126.5
[M+Na-2H]-	169.02710	130.2
[M]+	148.05188	125.1
[M]-	148.05298	125.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.