CID 4607138

2-(3-bromophenyl)piperazine dihydrochloride

Structural Information

Molecular Formula

C₁₀H₁₃BrN₂

SMILES

C1CNC(CN1)C2=CC(=CC=C2)Br

InChI

InChI=1S/C10H13BrN2/c11-9-3-1-2-8(6-9)10-7-12-4-5-13-10/h1-3,6,10,12-13H,4-5,7H2

InChIKey

KOGWBQXWQJLZEN-UHFFFAOYSA-N

Compound name

2-(3-bromophenyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 240.02621 Da
Monoisotopic Mass: 1.4
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]+	241.03349	148.0
[M+Na]+	263.01543	151.2
[M+NH4]+	258.06003	152.8
[M+K]+	278.98937	150.3
[M-H]-	239.01893	149.2
[M+Na-2H]-	261.00088	152.0
[M]+	240.02566	147.5
[M]-	240.02676	147.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe