CID 91762

Chlorimuron

Structural Information

Molecular Formula
C13H11ClN4O6S
SMILES
COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)O)Cl
InChI
InChI=1S/C13H11ClN4O6S/c1-24-10-6-9(14)15-12(16-10)17-13(21)18-25(22,23)8-5-3-2-4-7(8)11(19)20/h2-6H,1H3,(H,19,20)(H2,15,16,17,18,21)
InChIKey
RIUXZHMCCFLRBI-UHFFFAOYSA-N
Compound name
2-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18554
Patents

386.0088 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.01608 178.9
[M+Na]+ 408.99802 186.5
[M-H]- 385.00152 182.6
[M+NH4]+ 404.04262 187.4
[M+K]+ 424.97196 182.2
[M+H-H2O]+ 369.00606 171.2
[M+HCOO]- 431.00700 190.1
[M+CH3COO]- 445.02265 214.0
[M+Na-2H]- 406.98347 183.0
[M]+ 386.00825 184.4
[M]- 386.00935 184.4
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