CID 91774

Primisulfuron

Structural Information

Molecular Formula
C14H10F4N4O7S
SMILES
C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC(F)F)OC(F)F
InChI
InChI=1S/C14H10F4N4O7S/c15-11(16)28-8-5-9(29-12(17)18)20-13(19-8)21-14(25)22-30(26,27)7-4-2-1-3-6(7)10(23)24/h1-5,11-12H,(H,23,24)(H2,19,20,21,22,25)
InChIKey
GPGLBXMQFQQXDV-UHFFFAOYSA-N
Compound name
2-[[4,6-bis(difluoromethoxy)pyrimidin-2-yl]carbamoylsulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

19133
Patents

454.02063 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.02791 184.8
[M+Na]+ 477.00985 187.7
[M+NH4]+ 472.05445 183.4
[M+K]+ 492.98379 187.1
[M-H]- 453.01335 177.8
[M+Na-2H]- 474.99530 185.4
[M]+ 454.02008 182.6
[M]- 454.02118 182.6
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

patents stripe