CID 258327

1-[4-(4-chlorophenyl)piperazin-1-yl]ethan-1-one

Structural Information

Molecular Formula
C12H15ClN2O
SMILES
CC(=O)N1CCN(CC1)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C12H15ClN2O/c1-10(16)14-6-8-15(9-7-14)12-4-2-11(13)3-5-12/h2-5H,6-9H2,1H3
InChIKey
UVYFWYMZWQBGAQ-UHFFFAOYSA-N
Compound name
1-[4-(4-chlorophenyl)piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

19
Patents

238.0873 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.09458 152.4
[M+Na]+ 261.07652 166.4
[M+NH4]+ 256.12112 160.9
[M+K]+ 277.05046 158.9
[M-H]- 237.08002 155.5
[M+Na-2H]- 259.06197 159.8
[M]+ 238.08675 155.5
[M]- 238.08785 155.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe