CID 185490

22518-27-0

Structural Information

Molecular Formula

C₁₀H₁₀ClNO

SMILES

C1C(CNC1=O)C2=CC=C(C=C2)Cl

InChI

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

InChIKey

OVRPDYOZYMCTAK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 136
Patents: 195.04509 Da
Monoisotopic Mass: 1.6
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]+	196.052366	140.6
[M+Na]+	218.034308	149.3
[M-H]-	194.037814	144.5
[M+NH4]+	213.078913	160.6
[M+K]+	234.008248	144.0
[M+H-H2O]+	178.042350	134.6
[M+HCOO]-	240.043291	157.2
[M+CH3COO]-	254.058941	153.5
[M+Na-2H]-	216.019756	143.8
[M]+	195.04454142	138.2
[M]-	195.04563858	138.2

Literature stripe

literature stripe

Patent stripe

patents stripe