CID 100975565

Flupyrsulfuron-methyl tp1

Structural Information

Molecular Formula
C12H6F3N5O4
SMILES
C1=CC(=NC2=C1C(=O)NC(=O)N2C3=NC(=CC(=O)N3)O)C(F)(F)F
InChI
InChI=1S/C12H6F3N5O4/c13-12(14,15)5-2-1-4-8(16-5)20(11(24)19-9(4)23)10-17-6(21)3-7(22)18-10/h1-3H,(H,19,23,24)(H2,17,18,21,22)
InChIKey
UKMJMGWWWVPBOQ-UHFFFAOYSA-N
Compound name
1-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

341.0372 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.044476 177.4
[M+Na]+ 364.026418 191.1
[M-H]- 340.029924 172.8
[M+NH4]+ 359.071023 183.3
[M+K]+ 380.000358 182.6
[M+H-H2O]+ 324.034460 165.5
[M+HCOO]- 386.035401 186.8
[M+CH3COO]- 400.051051 203.0
[M+Na-2H]- 362.011866 182.6
[M]+ 341.03665142 173.7
[M]- 341.03774858 173.7
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.