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

18
Patents

238.0873 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.094576 152.5
[M+Na]+ 261.076518 159.6
[M-H]- 237.080024 155.7
[M+NH4]+ 256.121123 168.1
[M+K]+ 277.050458 155.1
[M+H-H2O]+ 221.084560 144.4
[M+HCOO]- 283.085501 165.3
[M+CH3COO]- 297.101151 189.8
[M+Na-2H]- 259.061966 155.6
[M]+ 238.08675142 150.4
[M]- 238.08784858 150.4
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