CID 16226890

1171964-76-3

Structural Information

Molecular Formula
C13H16Cl2N2O
SMILES
C1CN(CCN1CC2=CC(=CC=C2)Cl)C(=O)CCl
InChI
InChI=1S/C13H16Cl2N2O/c14-9-13(18)17-6-4-16(5-7-17)10-11-2-1-3-12(15)8-11/h1-3,8H,4-7,9-10H2
InChIKey
ZMKLMLZZCDRNGW-UHFFFAOYSA-N
Compound name
2-chloro-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.06396 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.07124 162.2
[M+Na]+ 309.05318 169.0
[M-H]- 285.05668 164.3
[M+NH4]+ 304.09778 176.2
[M+K]+ 325.02712 163.2
[M+H-H2O]+ 269.06122 154.2
[M+HCOO]- 331.06216 169.5
[M+CH3COO]- 345.07781 197.2
[M+Na-2H]- 307.03863 163.9
[M]+ 286.06341 161.5
[M]- 286.06451 161.5
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

No patent data available for this compound.