CID 24212595

N-(2-ethyl-6-methylphenyl)-2-(2,3,4,6-tetrachlorophenoxy)acetamide

Structural Information

Molecular Formula
C17H15Cl4NO2
SMILES
CCC1=CC=CC(=C1NC(=O)COC2=C(C(=C(C=C2Cl)Cl)Cl)Cl)C
InChI
InChI=1S/C17H15Cl4NO2/c1-3-10-6-4-5-9(2)16(10)22-13(23)8-24-17-12(19)7-11(18)14(20)15(17)21/h4-7H,3,8H2,1-2H3,(H,22,23)
InChIKey
WBVVBCDZXSIXHK-UHFFFAOYSA-N
Compound name
N-(2-ethyl-6-methylphenyl)-2-(2,3,4,6-tetrachlorophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.9857 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.99298 186.0
[M+Na]+ 427.97492 196.2
[M-H]- 403.97842 189.7
[M+NH4]+ 423.01952 198.7
[M+K]+ 443.94886 189.2
[M+H-H2O]+ 387.98296 181.5
[M+HCOO]- 449.98390 189.2
[M+CH3COO]- 463.99955 223.4
[M+Na-2H]- 425.96037 183.8
[M]+ 404.98515 192.1
[M]- 404.98625 192.1
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.