CID 86723

5-(4-chlorophenyl)tetrahydrofuran-2(3h)-one

Structural Information

Molecular Formula

C₁₀H₉ClO₂

SMILES

C1CC(=O)OC1C2=CC=C(C=C2)Cl

InChI

InChI=1S/C10H9ClO2/c11-8-3-1-7(2-4-8)9-5-6-10(12)13-9/h1-4,9H,5-6H2

InChIKey

MDOWPKVKTIICSH-UHFFFAOYSA-N

Compound name

5-(4-chlorophenyl)oxolan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 196.02911 Da
Monoisotopic Mass: 2.3
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]+	197.03639	137.7
[M+Na]+	219.01833	151.7
[M+NH4]+	214.06293	147.4
[M+K]+	234.99227	146.4
[M-H]-	195.02183	142.8
[M+Na-2H]-	217.00378	145.0
[M]+	196.02856	141.4
[M]-	196.02966	141.4

Literature stripe

literature stripe

Patent stripe

patents stripe