CID 11159021

Fluopicolide

Structural Information

Molecular Formula
C14H8Cl3F3N2O
SMILES
C1=CC(=C(C(=C1)Cl)C(=O)NCC2=C(C=C(C=N2)C(F)(F)F)Cl)Cl
InChI
InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)
InChIKey
GBOYJIHYACSLGN-UHFFFAOYSA-N
Compound name
2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

14
References

21652
Patents

381.96542 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.97270 172.5
[M+Na]+ 404.95464 184.0
[M+NH4]+ 399.99924 177.6
[M+K]+ 420.92858 177.4
[M-H]- 380.95814 171.2
[M+Na-2H]- 402.94009 178.2
[M]+ 381.96487 174.3
[M]- 381.96597 174.3
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