CID 3056279

73664-40-1

Structural Information

Molecular Formula
C13H15Cl4NO2
SMILES
CCOCCN(CC1=C(C=C(C=C1)Cl)Cl)C(=O)C(Cl)Cl
InChI
InChI=1S/C13H15Cl4NO2/c1-2-20-6-5-18(13(19)12(16)17)8-9-3-4-10(14)7-11(9)15/h3-4,7,12H,2,5-6,8H2,1H3
InChIKey
NPQCLIBXYVWAES-UHFFFAOYSA-N
Compound name
2,2-dichloro-N-[(2,4-dichlorophenyl)methyl]-N-(2-ethoxyethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

356.9857 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.99298 173.3
[M+Na]+ 379.97492 180.6
[M-H]- 355.97842 174.8
[M+NH4]+ 375.01952 187.8
[M+K]+ 395.94886 175.6
[M+H-H2O]+ 339.98296 169.8
[M+HCOO]- 401.98390 176.3
[M+CH3COO]- 415.99955 215.9
[M+Na-2H]- 377.96037 171.8
[M]+ 356.98515 179.2
[M]- 356.98625 179.2
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