CID 2757153

1-(2-bromophenyl)piperazine

Structural Information

Molecular Formula

C₁₀H₁₃BrN₂

SMILES

C1CN(CCN1)C2=CC=CC=C2Br

InChI

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

InChIKey

JVTRURBMYILQDA-UHFFFAOYSA-N

Compound name

1-(2-bromophenyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 142
Patents: 240.02621 Da
Monoisotopic Mass: 2.1
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]+	241.03349	147.0
[M+Na]+	263.01543	150.7
[M+NH4]+	258.06003	152.2
[M+K]+	278.98937	149.6
[M-H]-	239.01893	148.7
[M+Na-2H]-	261.00088	151.6
[M]+	240.02566	146.8
[M]-	240.02676	146.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe