CID 16769704

2-(4-chlorophenyl)-1-(piperazin-1-yl)ethan-1-one

Structural Information

Molecular Formula
C12H15ClN2O
SMILES
C1CN(CCN1)C(=O)CC2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H15ClN2O/c13-11-3-1-10(2-4-11)9-12(16)15-7-5-14-6-8-15/h1-4,14H,5-9H2
InChIKey
XMSQPRRJHDDJBZ-UHFFFAOYSA-N
Compound name
2-(4-chlorophenyl)-1-piperazin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

238.0873 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.09458 153.0
[M+Na]+ 261.07652 158.7
[M-H]- 237.08002 154.4
[M+NH4]+ 256.12112 167.6
[M+K]+ 277.05046 153.3
[M+H-H2O]+ 221.08456 145.0
[M+HCOO]- 283.08550 164.3
[M+CH3COO]- 297.10115 186.1
[M+Na-2H]- 259.06197 156.3
[M]+ 238.08675 148.6
[M]- 238.08785 148.6
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