CID 45050979

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

Structural Information

Molecular Formula
C14H7Cl6NO2
SMILES
C1=CC(=C(C(=C1)Cl)NC(=O)COC2=C(C(=C(C=C2Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C14H7Cl6NO2/c15-6-2-1-3-7(16)13(6)21-10(22)5-23-14-9(18)4-8(17)11(19)12(14)20/h1-4H,5H2,(H,21,22)
InChIKey
BXIQRBZMCJNYDQ-UHFFFAOYSA-N
Compound name
N-(2,6-dichlorophenyl)-2-(2,3,4,6-tetrachlorophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.8608 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.86808 187.2
[M+Na]+ 453.85002 195.8
[M-H]- 429.85352 186.3
[M+NH4]+ 448.89462 196.9
[M+K]+ 469.82396 191.0
[M+H-H2O]+ 413.85806 183.7
[M+HCOO]- 475.85900 180.2
[M+CH3COO]- 489.87465 225.4
[M+Na-2H]- 451.83547 182.9
[M]+ 430.86025 187.9
[M]- 430.86135 187.9
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.