CID 4165380

70395-06-1

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	273.05558	157.7
[M+Na]+	295.03752	172.2
[M+NH4]+	290.08212	166.2
[M+K]+	311.01146	164.0
[M-H]-	271.04102	160.6
[M+Na-2H]-	293.02297	165.0
[M]+	272.04775	161.1
[M]-	272.04885	161.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe