CID 45050934

N-(3-chloro-2-methylphenyl)-2-(2,3,4,6-tetrachlorophenoxy)acetamide

Structural Information

Molecular Formula
C15H10Cl5NO2
SMILES
CC1=C(C=CC=C1Cl)NC(=O)COC2=C(C(=C(C=C2Cl)Cl)Cl)Cl
InChI
InChI=1S/C15H10Cl5NO2/c1-7-8(16)3-2-4-11(7)21-12(22)6-23-15-10(18)5-9(17)13(19)14(15)20/h2-5H,6H2,1H3,(H,21,22)
InChIKey
XRRPAHKYLHKEFU-UHFFFAOYSA-N
Compound name
N-(3-chloro-2-methylphenyl)-2-(2,3,4,6-tetrachlorophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.9154 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.92268 190.5
[M+Na]+ 433.90462 205.6
[M+NH4]+ 428.94922 197.7
[M+K]+ 449.87856 196.0
[M-H]- 409.90812 193.2
[M+Na-2H]- 431.89007 196.3
[M]+ 410.91485 194.8
[M]- 410.91595 194.8
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.