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
2
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]+ 342.04448 177.4
[M+Na]+ 364.02642 191.1
[M-H]- 340.02992 172.8
[M+NH4]+ 359.07102 183.3
[M+K]+ 380.00036 182.6
[M+H-H2O]+ 324.03446 165.5
[M+HCOO]- 386.03540 186.8
[M+CH3COO]- 400.05105 203.0
[M+Na-2H]- 362.01187 182.6
[M]+ 341.03665 173.7
[M]- 341.03775 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.