CID 45051187

N-(3,5-bis(trifluoromethyl)phenyl)-2-(2,4-dichlorophenoxy)acetamide

Structural Information

Molecular Formula
C16H9Cl2F6NO2
SMILES
C1=CC(=C(C=C1Cl)Cl)OCC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C16H9Cl2F6NO2/c17-10-1-2-13(12(18)6-10)27-7-14(26)25-11-4-8(15(19,20)21)3-9(5-11)16(22,23)24/h1-6H,7H2,(H,25,26)
InChIKey
ZRWXDFSGYPPDDQ-UHFFFAOYSA-N
Compound name
N-[3,5-bis(trifluoromethyl)phenyl]-2-(2,4-dichlorophenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.99146 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.99874 189.6
[M+Na]+ 453.98068 195.4
[M+NH4]+ 449.02528 191.3
[M+K]+ 469.95462 190.7
[M-H]- 429.98418 184.5
[M+Na-2H]- 451.96613 191.1
[M]+ 430.99091 189.0
[M]- 430.99201 189.0
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.