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
2
Annotation Hits

0
References

398
Patents

196.04034 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.047616 140.3
[M+Na]+ 219.029558 149.3
[M-H]- 195.033064 142.8
[M+NH4]+ 214.074163 158.8
[M+K]+ 235.003498 144.2
[M+H-H2O]+ 179.037600 133.2
[M+HCOO]- 241.038541 155.7
[M+CH3COO]- 255.054191 152.7
[M+Na-2H]- 217.015006 143.8
[M]+ 196.03979142 137.9
[M]- 196.04088858 137.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe