CID 100975561

Flupyrsulfuron-methyl tp4

Structural Information

Molecular Formula
C13H11F3N4O4
SMILES
COC1=CC(=O)NC(=N1)NC2=C(C=CC(=N2)C(F)(F)F)C(=O)OC
InChI
InChI=1S/C13H11F3N4O4/c1-23-9-5-8(21)18-12(19-9)20-10-6(11(22)24-2)3-4-7(17-10)13(14,15)16/h3-5H,1-2H3,(H2,17,18,19,20,21)
InChIKey
RRFKNCYLZXNGBH-UHFFFAOYSA-N
Compound name
methyl 2-[(4-methoxy-6-oxo-1H-pyrimidin-2-yl)amino]-6-(trifluoromethyl)pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

344.07324 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.080516 173.8
[M+Na]+ 367.062458 183.6
[M-H]- 343.065964 172.5
[M+NH4]+ 362.107063 182.2
[M+K]+ 383.036398 179.2
[M+H-H2O]+ 327.070500 161.9
[M+HCOO]- 389.071441 189.2
[M+CH3COO]- 403.087091 209.6
[M+Na-2H]- 365.047906 177.7
[M]+ 344.07269142 172.7
[M]- 344.07378858 172.7
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.