CID 19227

3613-89-6

Structural Information

Molecular Formula
C14H24Cl4N2O2
SMILES
CCN(CCCCCCN(CC)C(=O)C(Cl)Cl)C(=O)C(Cl)Cl
InChI
InChI=1S/C14H24Cl4N2O2/c1-3-19(13(21)11(15)16)9-7-5-6-8-10-20(4-2)14(22)12(17)18/h11-12H,3-10H2,1-2H3
InChIKey
IFMHJVAKBSKZFN-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[6-[(2,2-dichloroacetyl)-ethylamino]hexyl]-N-ethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.0592 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.06648 188.3
[M+Na]+ 415.04842 191.9
[M-H]- 391.05192 187.6
[M+NH4]+ 410.09302 201.5
[M+K]+ 431.02236 188.0
[M+H-H2O]+ 375.05646 185.3
[M+HCOO]- 437.05740 190.0
[M+CH3COO]- 451.07305 228.3
[M+Na-2H]- 413.03387 182.6
[M]+ 392.05865 194.6
[M]- 392.05975 194.6
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

patents stripe