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 144.8
[M+Na]+ 241.01623 158.5
[M+NH4]+ 236.06083 154.8
[M+K]+ 256.99017 150.9
[M-H]- 217.01973 146.7
[M+Na-2H]- 239.00168 150.7
[M]+ 218.02646 148.5
[M]- 218.02756 148.5
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.