CID 45051439

N-(2-(3-chloro-4-methoxyphenyl)ethyl)-2-(2,4,6-trichlorophenoxy)acetamide

Structural Information

Molecular Formula
C17H15Cl4NO3
SMILES
COC1=C(C=C(C=C1)CCNC(=O)COC2=C(C=C(C=C2Cl)Cl)Cl)Cl
InChI
InChI=1S/C17H15Cl4NO3/c1-24-15-3-2-10(6-12(15)19)4-5-22-16(23)9-25-17-13(20)7-11(18)8-14(17)21/h2-3,6-8H,4-5,9H2,1H3,(H,22,23)
InChIKey
HZPHMSKINSIBRP-UHFFFAOYSA-N
Compound name
N-[2-(3-chloro-4-methoxyphenyl)ethyl]-2-(2,4,6-trichlorophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.9806 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.98788 187.9
[M+Na]+ 443.96982 197.2
[M-H]- 419.97332 191.4
[M+NH4]+ 439.01442 199.8
[M+K]+ 459.94376 190.8
[M+H-H2O]+ 403.97786 183.1
[M+HCOO]- 465.97880 191.4
[M+CH3COO]- 479.99445 224.1
[M+Na-2H]- 441.95527 186.6
[M]+ 420.98005 195.1
[M]- 420.98115 195.1
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.