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]+ 345.08052 173.8
[M+Na]+ 367.06246 183.6
[M-H]- 343.06596 172.5
[M+NH4]+ 362.10706 182.2
[M+K]+ 383.03640 179.2
[M+H-H2O]+ 327.07050 161.9
[M+HCOO]- 389.07144 189.2
[M+CH3COO]- 403.08709 209.6
[M+Na-2H]- 365.04791 177.7
[M]+ 344.07269 172.7
[M]- 344.07379 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.