CID 285510

27469-61-0

Structural Information

Molecular Formula

C₁₇H₁₈Cl₂N₂

SMILES

C1CN(CCN1)C(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H18Cl2N2/c18-15-5-1-13(2-6-15)17(21-11-9-20-10-12-21)14-3-7-16(19)8-4-14/h1-8,17,20H,9-12H2

InChIKey

PTLFMGDNZYQISN-UHFFFAOYSA-N

Compound name

1-[bis(4-chlorophenyl)methyl]piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 185
Patents: 320.08472 Da
Monoisotopic Mass: 4.1
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]+	321.09200	174.3
[M+Na]+	343.07394	190.6
[M+NH4]+	338.11854	183.6
[M+K]+	359.04788	180.5
[M-H]-	319.07744	180.1
[M+Na-2H]-	341.05939	184.1
[M]+	320.08417	179.0
[M]-	320.08527	179.0

Literature stripe

literature stripe

Patent stripe

patents stripe