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

10
Patents

210.05598 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.063256 144.7
[M+Na]+ 233.045198 152.0
[M-H]- 209.048704 145.3
[M+NH4]+ 228.089803 160.0
[M+K]+ 249.019138 145.7
[M+H-H2O]+ 193.053240 137.5
[M+HCOO]- 255.054181 156.1
[M+CH3COO]- 269.069831 155.3
[M+Na-2H]- 231.030646 149.0
[M]+ 210.05543142 138.8
[M]- 210.05652858 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