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
5
Annotation Hits

48
References

27223
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 187.3
[M+Na]+ 417.06329 195.7
[M+NH4]+ 412.10789 189.8
[M+K]+ 433.03723 190.1
[M-H]- 393.06679 185.1
[M+Na-2H]- 415.04874 192.2
[M]+ 394.07352 187.5
[M]- 394.07462 187.5
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

patents stripe