CID 54257827

3-(2-chlorophenyl)piperazin-2-one

Structural Information

Molecular Formula
C10H11ClN2O
SMILES
C1CNC(=O)C(N1)C2=CC=CC=C2Cl
InChI
InChI=1S/C10H11ClN2O/c11-8-4-2-1-3-7(8)9-10(14)13-6-5-12-9/h1-4,9,12H,5-6H2,(H,13,14)
InChIKey
RBIFYBXGMSLFTG-UHFFFAOYSA-N
Compound name
3-(2-chlorophenyl)piperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

210.05598 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.06326 144.7
[M+Na]+ 233.04520 152.0
[M-H]- 209.04870 145.3
[M+NH4]+ 228.08980 160.0
[M+K]+ 249.01914 145.7
[M+H-H2O]+ 193.05324 137.5
[M+HCOO]- 255.05418 156.1
[M+CH3COO]- 269.06983 155.3
[M+Na-2H]- 231.03065 149.0
[M]+ 210.05543 138.8
[M]- 210.05653 138.8
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