CID 139595959

Fluopicolid m-11/12

Structural Information

Molecular Formula
C7H4F3NO6S
SMILES
C1=C(C(=O)C(=C(N1)C(=O)O)S(=O)(=O)O)C(F)(F)F
InChI
InChI=1S/C7H4F3NO6S/c8-7(9,10)2-1-11-3(6(13)14)5(4(2)12)18(15,16)17/h1H,(H,11,12)(H,13,14)(H,15,16,17)
InChIKey
LRLGODUBXZKHAW-UHFFFAOYSA-N
Compound name
4-oxo-3-sulfo-5-(trifluoromethyl)-1H-pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

286.97113 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.978406 149.4
[M+Na]+ 309.960348 159.3
[M-H]- 285.963854 144.7
[M+NH4]+ 305.004953 161.9
[M+K]+ 325.934288 155.1
[M+H-H2O]+ 269.968390 141.8
[M+HCOO]- 331.969331 158.0
[M+CH3COO]- 345.984981 186.8
[M+Na-2H]- 307.945796 151.8
[M]+ 286.97058142 147.1
[M]- 286.97167858 147.1
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.