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)-2-pyridinyl]methyl]benzamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

14
References

24390
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 174.1
[M+Na]+ 404.95464 185.1
[M-H]- 380.95814 174.4
[M+NH4]+ 399.99924 186.3
[M+K]+ 420.92858 177.0
[M+H-H2O]+ 364.96268 165.5
[M+HCOO]- 426.96362 177.9
[M+CH3COO]- 440.97927 215.8
[M+Na-2H]- 402.94009 175.4
[M]+ 381.96487 174.9
[M]- 381.96597 174.9
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.