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]+ 219.03429 144.5
[M+Na]+ 241.01623 151.7
[M-H]- 217.01973 143.9
[M+NH4]+ 236.06083 164.3
[M+K]+ 256.99017 142.3
[M+H-H2O]+ 201.02427 144.8
[M+HCOO]- 263.02521 153.1
[M+CH3COO]- 277.04086 186.2
[M+Na-2H]- 239.00168 151.6
[M]+ 218.02646 147.1
[M]- 218.02756 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.