CID 139595967

Fluopicolide tp1

Structural Information

Molecular Formula
C14H8Cl3F3N2O2
SMILES
C1=CC(=C(C(=C1)Cl)C(=O)NC(C2=C(C=C(C=N2)C(F)(F)F)Cl)O)Cl
InChI
InChI=1S/C14H8Cl3F3N2O2/c15-7-2-1-3-8(16)10(7)12(23)22-13(24)11-9(17)4-6(5-21-11)14(18,19)20/h1-5,13,24H,(H,22,23)
InChIKey
LSWCFWBWGGZCKY-UHFFFAOYSA-N
Compound name
2,6-dichloro-N-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-hydroxymethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

397.96036 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.96764 174.0
[M+Na]+ 420.94958 184.2
[M-H]- 396.95308 173.4
[M+NH4]+ 415.99418 184.9
[M+K]+ 436.92352 176.7
[M+H-H2O]+ 380.95762 166.2
[M+HCOO]- 442.95856 176.0
[M+CH3COO]- 456.97421 216.4
[M+Na-2H]- 418.93503 174.4
[M]+ 397.95981 174.1
[M]- 397.96091 174.1
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.