CID 6244

Chlorisondamine

Structural Information

Molecular Formula
C14H20Cl4N2
SMILES
C[N+]1(CC2=C(C1)C(=C(C(=C2Cl)Cl)Cl)Cl)CC[N+](C)(C)C
InChI
InChI=1S/C14H20Cl4N2/c1-19(2,3)5-6-20(4)7-9-10(8-20)12(16)14(18)13(17)11(9)15/h5-8H2,1-4H3/q+2
InChIKey
IXWDUZLHWJKVPX-UHFFFAOYSA-N
Compound name
trimethyl-[2-(4,5,6,7-tetrachloro-2-methyl-1,3-dihydroisoindol-2-ium-2-yl)ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

643
References

1302
Patents

356.03806 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.04534 177.1
[M+Na]+ 379.02728 194.2
[M+NH4]+ 374.07188 188.9
[M+K]+ 395.00122 185.7
[M-H]- 355.03078 181.8
[M+Na-2H]- 377.01273 184.2
[M]+ 356.03751 182.9
[M]- 356.03861 182.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe