CID 45050984

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

Structural Information

Molecular Formula
C15H10Cl5NO2
SMILES
CC1=C(C=C(C=C1)NC(=O)COC2=C(C(=C(C=C2Cl)Cl)Cl)Cl)Cl
InChI
InChI=1S/C15H10Cl5NO2/c1-7-2-3-8(4-9(7)16)21-12(22)6-23-15-11(18)5-10(17)13(19)14(15)20/h2-5H,6H2,1H3,(H,21,22)
InChIKey
WJPFQGLVHHMXEA-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-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 183.8
[M+Na]+ 433.90462 193.6
[M-H]- 409.90812 185.4
[M+NH4]+ 428.94922 195.4
[M+K]+ 449.87856 187.6
[M+H-H2O]+ 393.91266 180.0
[M+HCOO]- 455.91360 182.0
[M+CH3COO]- 469.92925 222.9
[M+Na-2H]- 431.89007 181.0
[M]+ 410.91485 187.4
[M]- 410.91595 187.4
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.