CID 411179

1-(2,4-dichlorobenzyl)piperazine

Structural Information

Molecular Formula

C₁₁H₁₄Cl₂N₂

SMILES

C1CN(CCN1)CC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C11H14Cl2N2/c12-10-2-1-9(11(13)7-10)8-15-5-3-14-4-6-15/h1-2,7,14H,3-6,8H2

InChIKey

VYKXBWXIOSLDQR-UHFFFAOYSA-N

Compound name

1-[(2,4-dichlorophenyl)methyl]piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 88
Patents: 244.0534 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]+	245.060676	152.0
[M+Na]+	267.042618	159.2
[M-H]-	243.046124	152.8
[M+NH4]+	262.087223	167.1
[M+K]+	283.016558	152.5
[M+H-H2O]+	227.050660	144.6
[M+HCOO]-	289.051601	159.0
[M+CH3COO]-	303.067251	162.1
[M+Na-2H]-	265.028066	155.4
[M]+	244.05285142	148.6
[M]-	244.05394858	148.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe