CID 97192

2'-chloro-2-(2,4-dichlorophenoxy)-5'-(trifluoromethyl)acetanilide

Structural Information

Molecular Formula
C15H9Cl3F3NO2
SMILES
C1=CC(=C(C=C1C(F)(F)F)NC(=O)COC2=C(C=C(C=C2)Cl)Cl)Cl
InChI
InChI=1S/C15H9Cl3F3NO2/c16-9-2-4-13(11(18)6-9)24-7-14(23)22-12-5-8(15(19,20)21)1-3-10(12)17/h1-6H,7H2,(H,22,23)
InChIKey
AMADTSPKSQEMIH-UHFFFAOYSA-N
Compound name
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(2,4-dichlorophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

396.9651 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.972376 177.4
[M+Na]+ 419.954318 188.1
[M-H]- 395.957824 179.1
[M+NH4]+ 414.998923 190.3
[M+K]+ 435.928258 180.5
[M+H-H2O]+ 379.962360 169.9
[M+HCOO]- 441.963301 182.6
[M+CH3COO]- 455.978951 218.1
[M+Na-2H]- 417.939766 178.3
[M]+ 396.96455142 179.7
[M]- 396.96564858 179.7
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.