CID 54488848

3-(4-chlorophenyl)pyrrolidin-2-one

Structural Information

Molecular Formula

C₁₀H₁₀ClNO

SMILES

C1CNC(=O)C1C2=CC=C(C=C2)Cl

InChI

InChI=1S/C10H10ClNO/c11-8-3-1-7(2-4-8)9-5-6-12-10(9)13/h1-4,9H,5-6H2,(H,12,13)

InChIKey

XUHZYYCMBOYAHK-UHFFFAOYSA-N

Compound name

3-(4-chlorophenyl)pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 195.04509 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]+	196.05237	139.9
[M+Na]+	218.03431	153.2
[M+NH4]+	213.07891	149.0
[M+K]+	234.00825	147.5
[M-H]-	194.03781	142.8
[M+Na-2H]-	216.01976	146.9
[M]+	195.04454	142.8
[M]-	195.04564	142.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe