CID 45050935

N-(4-ethoxyphenyl)-2-(2,3,4,6-tetrachlorophenoxy)acetamide

Structural Information

Molecular Formula
C16H13Cl4NO3
SMILES
CCOC1=CC=C(C=C1)NC(=O)COC2=C(C(=C(C=C2Cl)Cl)Cl)Cl
InChI
InChI=1S/C16H13Cl4NO3/c1-2-23-10-5-3-9(4-6-10)21-13(22)8-24-16-12(18)7-11(17)14(19)15(16)20/h3-7H,2,8H2,1H3,(H,21,22)
InChIKey
UXQRLTPKCMBCRY-UHFFFAOYSA-N
Compound name
N-(4-ethoxyphenyl)-2-(2,3,4,6-tetrachlorophenoxy)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 183.6
[M+Na]+ 429.95419 193.3
[M-H]- 405.95769 187.3
[M+NH4]+ 424.99879 196.0
[M+K]+ 445.92813 187.1
[M+H-H2O]+ 389.96223 179.0
[M+HCOO]- 451.96317 187.4
[M+CH3COO]- 465.97882 221.4
[M+Na-2H]- 427.93964 182.8
[M]+ 406.96442 190.5
[M]- 406.96552 190.5
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.