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]+ 273.055576 157.7
[M+Na]+ 295.037518 165.0
[M-H]- 271.041024 160.0
[M+NH4]+ 290.082123 172.3
[M+K]+ 311.011458 159.3
[M+H-H2O]+ 255.045560 149.9
[M+HCOO]- 317.046501 165.3
[M+CH3COO]- 331.062151 194.3
[M+Na-2H]- 293.022966 159.9
[M]+ 272.04775142 156.6
[M]- 272.04884858 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