CID 16166

2-bromo-2'-chloro-n-methyldiethylamine hydrobromide

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

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.