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)-2-pyridinyl]-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]+ 398.967636 174.0
[M+Na]+ 420.949578 184.2
[M-H]- 396.953084 173.4
[M+NH4]+ 415.994183 184.9
[M+K]+ 436.923518 176.7
[M+H-H2O]+ 380.957620 166.2
[M+HCOO]- 442.958561 176.0
[M+CH3COO]- 456.974211 216.4
[M+Na-2H]- 418.935026 174.4
[M]+ 397.95981142 174.1
[M]- 397.96090858 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.