CID 4165380

2-chloro-1-[4-(3-chlorophenyl)piperazin-1-yl]ethan-1-one

Structural Information

Molecular Formula
C12H14Cl2N2O
SMILES
C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CCl
InChI
InChI=1S/C12H14Cl2N2O/c13-9-12(17)16-6-4-15(5-7-16)11-3-1-2-10(14)8-11/h1-3,8H,4-7,9H2
InChIKey
QEKHLFPLCZFMFJ-UHFFFAOYSA-N
Compound name
2-chloro-1-[4-(3-chlorophenyl)piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

272.0483 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.05558 157.7
[M+Na]+ 295.03752 165.0
[M-H]- 271.04102 160.0
[M+NH4]+ 290.08212 172.3
[M+K]+ 311.01146 159.3
[M+H-H2O]+ 255.04556 149.9
[M+HCOO]- 317.04650 165.3
[M+CH3COO]- 331.06215 194.3
[M+Na-2H]- 293.02297 159.9
[M]+ 272.04775 156.6
[M]- 272.04885 156.6
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