CID 7275213

N-(2,6-dimethylphenyl)-2-(2,4,6-trichlorophenoxy)acetamide

Structural Information

Molecular Formula
C16H14Cl3NO2
SMILES
CC1=C(C(=CC=C1)C)NC(=O)COC2=C(C=C(C=C2Cl)Cl)Cl
InChI
InChI=1S/C16H14Cl3NO2/c1-9-4-3-5-10(2)15(9)20-14(21)8-22-16-12(18)6-11(17)7-13(16)19/h3-7H,8H2,1-2H3,(H,20,21)
InChIKey
MGYFUTBIOPDMGP-UHFFFAOYSA-N
Compound name
N-(2,6-dimethylphenyl)-2-(2,4,6-trichlorophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.009 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.01628 176.1
[M+Na]+ 379.99822 186.6
[M-H]- 356.00172 181.6
[M+NH4]+ 375.04282 190.9
[M+K]+ 395.97216 179.7
[M+H-H2O]+ 340.00626 171.1
[M+HCOO]- 402.00720 185.3
[M+CH3COO]- 416.02285 214.7
[M+Na-2H]- 377.98367 176.4
[M]+ 357.00845 182.4
[M]- 357.00955 182.4
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.