CID 16164

Diethylamine, 2-bromo-2'-chloro-, hydrobromide

Structural Information

Molecular Formula

SMILES

C(CCl)NCCBr

InChI

InChI=1S/C4H9BrClN/c5-1-3-7-4-2-6/h7H,1-4H2

InChIKey

KFVNKCRZAGIKQX-UHFFFAOYSA-N

Compound name

N-(2-bromoethyl)-2-chloroethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 184.9607 Da
Monoisotopic Mass: 1.1
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]+	185.96798	129.6
[M+Na]+	207.94992	141.2
[M-H]-	183.95342	132.6
[M+NH4]+	202.99452	153.5
[M+K]+	223.92386	129.0
[M+H-H2O]+	167.95796	130.9
[M+HCOO]-	229.95890	148.0
[M+CH3COO]-	243.97455	180.6
[M+Na-2H]-	205.93537	138.5
[M]+	184.96015	149.1
[M]-	184.96125	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.