CID 22762

Methyltris(2-chloroethyl)ammonium chloride

Structural Information

Molecular Formula
C7H15Cl3N
SMILES
C[N+](CCCl)(CCCl)CCCl
InChI
InChI=1S/C7H15Cl3N/c1-11(5-2-8,6-3-9)7-4-10/h2-7H2,1H3/q+1
InChIKey
KPXMKVROTQAAPB-UHFFFAOYSA-N
Compound name
tris(2-chloroethyl)-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.02701 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.034286 144.5
[M+Na]+ 241.016228 151.7
[M-H]- 217.019734 143.9
[M+NH4]+ 236.060833 164.3
[M+K]+ 256.990168 142.3
[M+H-H2O]+ 201.024270 144.8
[M+HCOO]- 263.025211 153.1
[M+CH3COO]- 277.040861 186.2
[M+Na-2H]- 239.001676 151.6
[M]+ 218.02646142 147.1
[M]- 218.02755858 147.1
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.