CID 15400016

1-(2-chlorophenyl)piperazin-2-one

Structural Information

Molecular Formula
C10H11ClN2O
SMILES
C1CN(C(=O)CN1)C2=CC=CC=C2Cl
InChI
InChI=1S/C10H11ClN2O/c11-8-3-1-2-4-9(8)13-6-5-12-7-10(13)14/h1-4,12H,5-7H2
InChIKey
QMIBLRDYVHXODO-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)piperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

210.05598 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.063256 144.2
[M+Na]+ 233.045198 151.9
[M-H]- 209.048704 146.1
[M+NH4]+ 228.089803 160.2
[M+K]+ 249.019138 146.5
[M+H-H2O]+ 193.053240 136.6
[M+HCOO]- 255.054181 157.1
[M+CH3COO]- 269.069831 155.5
[M+Na-2H]- 231.030646 148.9
[M]+ 210.05543142 140.1
[M]- 210.05652858 140.1
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