CID 91735

Diflufenican

Structural Information

Molecular Formula
C19H11F5N2O2
SMILES
C1=CC(=CC(=C1)OC2=C(C=CC=N2)C(=O)NC3=C(C=C(C=C3)F)F)C(F)(F)F
InChI
InChI=1S/C19H11F5N2O2/c20-12-6-7-16(15(21)10-12)26-17(27)14-5-2-8-25-18(14)28-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H,26,27)
InChIKey
WYEHFWKAOXOVJD-UHFFFAOYSA-N
Compound name
N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

48
References

31795
Patents

394.07407 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.08135 187.9
[M+Na]+ 417.06329 197.1
[M-H]- 393.06679 190.3
[M+NH4]+ 412.10789 197.0
[M+K]+ 433.03723 190.3
[M+H-H2O]+ 377.07133 173.4
[M+HCOO]- 439.07227 203.8
[M+CH3COO]- 453.08792 221.9
[M+Na-2H]- 415.04874 189.7
[M]+ 394.07352 182.7
[M]- 394.07462 182.7
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.