CID 45051030

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

Structural Information

Molecular Formula
C15H11Cl4NO3
SMILES
COC1=C(C=C(C=C1)Cl)NC(=O)COC2=C(C=C(C=C2Cl)Cl)Cl
InChI
InChI=1S/C15H11Cl4NO3/c1-22-13-3-2-8(16)6-12(13)20-14(21)7-23-15-10(18)4-9(17)5-11(15)19/h2-6H,7H2,1H3,(H,20,21)
InChIKey
POLZOTICSWZYLM-UHFFFAOYSA-N
Compound name
N-(5-chloro-2-methoxyphenyl)-2-(2,4,6-trichlorophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.9493 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.95658 183.4
[M+Na]+ 415.93852 198.7
[M+NH4]+ 410.98312 190.8
[M+K]+ 431.91246 189.7
[M-H]- 391.94202 186.5
[M+Na-2H]- 413.92397 190.2
[M]+ 392.94875 187.6
[M]- 392.94985 187.6
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.