CID 45050985

N-(2,5-dimethoxyphenyl)-2-(2,3,4,6-tetrachlorophenoxy)acetamide

Structural Information

Molecular Formula
C16H13Cl4NO4
SMILES
COC1=CC(=C(C=C1)OC)NC(=O)COC2=C(C(=C(C=C2Cl)Cl)Cl)Cl
InChI
InChI=1S/C16H13Cl4NO4/c1-23-8-3-4-12(24-2)11(5-8)21-13(22)7-25-16-10(18)6-9(17)14(19)15(16)20/h3-6H,7H2,1-2H3,(H,21,22)
InChIKey
UHNNBDBCVPBXOS-UHFFFAOYSA-N
Compound name
N-(2,5-dimethoxyphenyl)-2-(2,3,4,6-tetrachlorophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

422.95987 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.96715 185.0
[M+Na]+ 445.94909 195.3
[M-H]- 421.95259 189.2
[M+NH4]+ 440.99369 197.0
[M+K]+ 461.92303 190.1
[M+H-H2O]+ 405.95713 180.6
[M+HCOO]- 467.95807 189.1
[M+CH3COO]- 481.97372 224.6
[M+Na-2H]- 443.93454 183.8
[M]+ 422.95932 193.6
[M]- 422.96042 193.6
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.