CID 2724698

1-(2-chloroacetyl)pyrazolidin-3-one

Structural Information

Molecular Formula
C5H7ClN2O2
SMILES
C1CN(NC1=O)C(=O)CCl
InChI
InChI=1S/C5H7ClN2O2/c6-3-5(10)8-2-1-4(9)7-8/h1-3H2,(H,7,9)
InChIKey
BLMIQDQPRHWOMD-UHFFFAOYSA-N
Compound name
1-(2-chloroacetyl)pyrazolidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

162.0196 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.02688 131.3
[M+Na]+ 185.00882 139.7
[M-H]- 161.01232 130.6
[M+NH4]+ 180.05342 151.1
[M+K]+ 200.98276 136.8
[M+H-H2O]+ 145.01686 125.5
[M+HCOO]- 207.01780 145.9
[M+CH3COO]- 221.03345 170.3
[M+Na-2H]- 182.99427 134.1
[M]+ 162.01905 129.4
[M]- 162.02015 129.4
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