CID 2758188

1-(2,5-dichlorophenyl)piperazine dihydrochloride

Structural Information

Molecular Formula

C₁₀H₁₂Cl₂N₂

SMILES

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

InChI

InChI=1S/C10H12Cl2N2/c11-8-1-2-9(12)10(7-8)14-5-3-13-4-6-14/h1-2,7,13H,3-6H2

InChIKey

JHICIIDUQBMMRM-UHFFFAOYSA-N

Compound name

1-(2,5-dichlorophenyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 120
Patents: 230.03775 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]+	231.04503	147.6
[M+Na]+	253.02697	155.2
[M-H]-	229.03047	148.5
[M+NH4]+	248.07157	163.2
[M+K]+	269.00091	148.8
[M+H-H2O]+	213.03501	140.4
[M+HCOO]-	275.03595	154.9
[M+CH3COO]-	289.05160	158.0
[M+Na-2H]-	251.01242	151.5
[M]+	230.03720	143.8
[M]-	230.03830	143.8

Literature stripe

literature stripe

Patent stripe

patents stripe