CID 45051033

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4,6-trichlorophenoxy)acetamide

Structural Information

Molecular Formula
C16H13Cl4NO3
SMILES
CC1=CC(=C(C=C1Cl)OC)NC(=O)COC2=C(C=C(C=C2Cl)Cl)Cl
InChI
InChI=1S/C16H13Cl4NO3/c1-8-3-13(14(23-2)6-10(8)18)21-15(22)7-24-16-11(19)4-9(17)5-12(16)20/h3-6H,7H2,1-2H3,(H,21,22)
InChIKey
DEQNGAKLMNCQKG-UHFFFAOYSA-N
Compound name
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4,6-trichlorophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.96497 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.97225 187.6
[M+Na]+ 429.95419 203.1
[M+NH4]+ 424.99879 194.9
[M+K]+ 445.92813 194.0
[M-H]- 405.95769 190.8
[M+Na-2H]- 427.93964 193.9
[M]+ 406.96442 191.9
[M]- 406.96552 191.9
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.