CID 101525

Primisulfuron-methyl

Structural Information

Molecular Formula
C15H12F4N4O7S
SMILES
COC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC(F)F)OC(F)F
InChI
InChI=1S/C15H12F4N4O7S/c1-28-11(24)7-4-2-3-5-8(7)31(26,27)23-15(25)22-14-20-9(29-12(16)17)6-10(21-14)30-13(18)19/h2-6,12-13H,1H3,(H2,20,21,22,23,25)
InChIKey
ZTYVMAQSHCZXLF-UHFFFAOYSA-N
Compound name
methyl 2-[[4,6-bis(difluoromethoxy)pyrimidin-2-yl]carbamoylsulfamoyl]benzoate
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

2
References

14521
Patents

468.0363 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.04358 193.0
[M+Na]+ 491.02552 198.7
[M-H]- 467.02902 192.0
[M+NH4]+ 486.07012 197.3
[M+K]+ 506.99946 196.4
[M+H-H2O]+ 451.03356 180.0
[M+HCOO]- 513.03450 203.5
[M+CH3COO]- 527.05015 232.4
[M+Na-2H]- 489.01097 193.4
[M]+ 468.03575 194.7
[M]- 468.03685 194.7
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.