CID 170354

Flupyrsulfuron-methyl

Structural Information

Molecular Formula
C15H14F3N5O7S
SMILES
COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC(=N2)C(F)(F)F)C(=O)OC)OC
InChI
InChI=1S/C15H14F3N5O7S/c1-28-9-6-10(29-2)21-13(20-9)22-14(25)23-31(26,27)11-7(12(24)30-3)4-5-8(19-11)15(16,17)18/h4-6H,1-3H3,(H2,20,21,22,23,25)
InChIKey
DTVOKYWXACGVGO-UHFFFAOYSA-N
Compound name
methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-6-(trifluoromethyl)pyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

2243
Patents

465.0566 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.06388 197.9
[M+Na]+ 488.04582 205.3
[M-H]- 464.04932 197.7
[M+NH4]+ 483.09042 201.6
[M+K]+ 504.01976 202.4
[M+H-H2O]+ 448.05386 185.9
[M+HCOO]- 510.05480 208.4
[M+CH3COO]- 524.07045 231.9
[M+Na-2H]- 486.03127 201.4
[M]+ 465.05605 201.8
[M]- 465.05715 201.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.