CID 351319

2247108-04-7

Structural Information

Molecular Formula

C₁₃H₁₈Cl₂N₂

SMILES

C1CN(CCN1CCCCl)C2=CC=CC=C2Cl

InChI

InChI=1S/C13H18Cl2N2/c14-6-3-7-16-8-10-17(11-9-16)13-5-2-1-4-12(13)15/h1-2,4-5H,3,6-11H2

InChIKey

PBAAKGAUXSCJAY-UHFFFAOYSA-N

Compound name

1-(2-chlorophenyl)-4-(3-chloropropyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 272.08472 Da
Monoisotopic Mass: 3.4
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]+	273.091996	160.8
[M+Na]+	295.073938	167.6
[M-H]-	271.077444	162.6
[M+NH4]+	290.118543	175.4
[M+K]+	311.047878	161.3
[M+H-H2O]+	255.081980	152.5
[M+HCOO]-	317.082921	168.5
[M+CH3COO]-	331.098571	170.6
[M+Na-2H]-	293.059386	163.5
[M]+	272.08417142	159.9
[M]-	272.08526858	159.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe