CID 2801550

1-(4-chlorophenyl)pyrazolidin-3-one

Structural Information

Molecular Formula

C₉H₉ClN₂O

SMILES

C1CN(NC1=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C9H9ClN2O/c10-7-1-3-8(4-2-7)12-6-5-9(13)11-12/h1-4H,5-6H2,(H,11,13)

InChIKey

QEWLOWAUHUOAEK-UHFFFAOYSA-N

Compound name

1-(4-chlorophenyl)pyrazolidin-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 342
Patents: 196.04034 Da
Monoisotopic Mass: 1.5
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]+	197.04762	139.7
[M+Na]+	219.02956	152.9
[M+NH4]+	214.07416	148.1
[M+K]+	235.00350	147.8
[M-H]-	195.03306	141.7
[M+Na-2H]-	217.01501	146.5
[M]+	196.03979	142.3
[M]-	196.04089	142.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe