CID 302769

2-(2,4,5-trichlorophenoxy)-3'-(trifluoromethyl)acetanilide

Structural Information

Molecular Formula
C15H9Cl3F3NO2
SMILES
C1=CC(=CC(=C1)NC(=O)COC2=CC(=C(C=C2Cl)Cl)Cl)C(F)(F)F
InChI
InChI=1S/C15H9Cl3F3NO2/c16-10-5-12(18)13(6-11(10)17)24-7-14(23)22-9-3-1-2-8(4-9)15(19,20)21/h1-6H,7H2,(H,22,23)
InChIKey
FPBVXTPQOMYESI-UHFFFAOYSA-N
Compound name
2-(2,4,5-trichlorophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
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]+ 397.97238 177.4
[M+Na]+ 419.95432 188.1
[M-H]- 395.95782 179.1
[M+NH4]+ 414.99892 190.3
[M+K]+ 435.92826 180.5
[M+H-H2O]+ 379.96236 169.9
[M+HCOO]- 441.96330 182.6
[M+CH3COO]- 455.97895 218.1
[M+Na-2H]- 417.93977 178.3
[M]+ 396.96455 179.7
[M]- 396.96565 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.