CID 4307614

2-(2,4,5-trichlorophenoxy)-2',4',6'-trimethylacetanilide

Structural Information

Molecular Formula
C17H16Cl3NO2
SMILES
CC1=CC(=C(C(=C1)C)NC(=O)COC2=CC(=C(C=C2Cl)Cl)Cl)C
InChI
InChI=1S/C17H16Cl3NO2/c1-9-4-10(2)17(11(3)5-9)21-16(22)8-23-15-7-13(19)12(18)6-14(15)20/h4-7H,8H2,1-3H3,(H,21,22)
InChIKey
BQBMBHQSAIJZBN-UHFFFAOYSA-N
Compound name
2-(2,4,5-trichlorophenoxy)-N-(2,4,6-trimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

371.02466 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.03194 180.3
[M+Na]+ 394.01388 191.2
[M-H]- 370.01738 185.9
[M+NH4]+ 389.05848 194.8
[M+K]+ 409.98782 184.2
[M+H-H2O]+ 354.02192 175.3
[M+HCOO]- 416.02286 189.2
[M+CH3COO]- 430.03851 218.8
[M+Na-2H]- 391.99933 179.4
[M]+ 371.02411 187.3
[M]- 371.02521 187.3
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.