CID 4098161

302934-85-6

Structural Information

Molecular Formula
C17H14Cl3F3N2O2
SMILES
COC1=CC=C(C=C1)C(=O)NC(C(Cl)(Cl)Cl)NC2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C17H14Cl3F3N2O2/c1-27-13-7-5-10(6-8-13)14(26)25-15(16(18,19)20)24-12-4-2-3-11(9-12)17(21,22)23/h2-9,15,24H,1H3,(H,25,26)
InChIKey
GSLCJVJPKZVGLQ-UHFFFAOYSA-N
Compound name
4-methoxy-N-[2,2,2-trichloro-1-[3-(trifluoromethyl)anilino]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

440.0073 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.01458 189.8
[M+Na]+ 462.99652 197.3
[M-H]- 439.00002 191.1
[M+NH4]+ 458.04112 200.3
[M+K]+ 478.97046 190.3
[M+H-H2O]+ 423.00456 181.9
[M+HCOO]- 485.00550 193.1
[M+CH3COO]- 499.02115 226.9
[M+Na-2H]- 460.98197 191.5
[M]+ 440.00675 190.6
[M]- 440.00785 190.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.