CID 16769382

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

Structural Information

Molecular Formula
C12H15ClN2O
SMILES
C1CN(CCN1)C(=O)CC2=CC=CC=C2Cl
InChI
InChI=1S/C12H15ClN2O/c13-11-4-2-1-3-10(11)9-12(16)15-7-5-14-6-8-15/h1-4,14H,5-9H2
InChIKey
YUVORACMRKRFNM-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-1-piperazin-1-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 153.2
[M+Na]+ 261.07652 166.2
[M+NH4]+ 256.12112 161.3
[M+K]+ 277.05046 158.9
[M-H]- 237.08002 155.7
[M+Na-2H]- 259.06197 160.1
[M]+ 238.08675 155.9
[M]- 238.08785 155.9
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