CID 3043323

2,3,5,6-tetrachloro-n,n,n,n',n',n'-hexamethyl-1,4-benzenedimethanaminium diiodide

Structural Information

Molecular Formula
C14H22Cl4N2
SMILES
C[N+](C)(C)CC1=C(C(=C(C(=C1Cl)Cl)C[N+](C)(C)C)Cl)Cl
InChI
InChI=1S/C14H22Cl4N2/c1-19(2,3)7-9-11(15)13(17)10(8-20(4,5)6)14(18)12(9)16/h7-8H2,1-6H3/q+2
InChIKey
FDRWRBXWHOZAOS-UHFFFAOYSA-N
Compound name
trimethyl-[[2,3,5,6-tetrachloro-4-[(trimethylazaniumyl)methyl]phenyl]methyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.0537 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.06098 177.9
[M+Na]+ 381.04292 185.9
[M-H]- 357.04642 180.3
[M+NH4]+ 376.08752 192.7
[M+K]+ 397.01686 171.4
[M+H-H2O]+ 341.05096 179.7
[M+HCOO]- 403.05190 180.2
[M+CH3COO]- 417.06755 213.4
[M+Na-2H]- 379.02837 182.5
[M]+ 358.05315 180.8
[M]- 358.05425 180.8
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.