CID 21838686

2-(4-bromophenyl)piperazine

Structural Information

Molecular Formula

C₁₀H₁₃BrN₂

SMILES

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

InChI

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

InChIKey

ZXWFFOCOSVMOPB-UHFFFAOYSA-N

Compound name

2-(4-bromophenyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 100
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	147.0
[M+Na]+	263.01543	155.4
[M-H]-	239.01893	150.1
[M+NH4]+	258.06003	163.9
[M+K]+	278.98937	142.6
[M+H-H2O]+	223.02347	146.0
[M+HCOO]-	285.02441	160.8
[M+CH3COO]-	299.04006	159.0
[M+Na-2H]-	261.00088	153.5
[M]+	240.02566	157.4
[M]-	240.02676	157.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe