CID 2757154

1-(3-bromophenyl)piperazine

Structural Information

Molecular Formula

C₁₀H₁₃BrN₂

SMILES

C1CN(CCN1)C2=CC(=CC=C2)Br

InChI

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

InChIKey

DOYNABJKDZARLF-UHFFFAOYSA-N

Compound name

1-(3-bromophenyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 303
Patents: 240.02621 Da
Monoisotopic Mass: 1.8
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	146.1
[M+Na]+	263.01543	155.0
[M-H]-	239.01893	150.6
[M+NH4]+	258.06003	163.8
[M+K]+	278.98937	143.1
[M+H-H2O]+	223.02347	144.9
[M+HCOO]-	285.02441	161.4
[M+CH3COO]-	299.04006	158.9
[M+Na-2H]-	261.00088	153.2
[M]+	240.02566	158.3
[M]-	240.02676	158.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe