CID 16166

2003-39-6

Structural Information

Molecular Formula

C₅H₁₁BrClN

SMILES

CN(CCCl)CCBr

InChI

InChI=1S/C5H11BrClN/c1-8(4-2-6)5-3-7/h2-5H2,1H3

InChIKey

MWFLSWIWFXFHBF-UHFFFAOYSA-N

Compound name

N-(2-bromoethyl)-2-chloro-N-methylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 198.97633 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]+	199.98361	134.2
[M+Na]+	221.96555	145.6
[M-H]-	197.96905	138.5
[M+NH4]+	217.01015	158.3
[M+K]+	237.93949	134.5
[M+H-H2O]+	181.97359	135.2
[M+HCOO]-	243.97453	152.8
[M+CH3COO]-	257.99018	186.8
[M+Na-2H]-	219.95100	141.9
[M]+	198.97578	155.4
[M]-	198.97688	155.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.