CID 169451322

O-desmethyl-chlorsulfuron

Structural Information

Molecular Formula
C11H10ClN5O4S
SMILES
CC1=NC(=NC(=O)N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C11H10ClN5O4S/c1-6-13-9(15-10(18)14-6)16-11(19)17-22(20,21)8-5-3-2-4-7(8)12/h2-5H,1H3,(H3,13,14,15,16,17,18,19)
InChIKey
FCCMQXNSYOONSJ-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)sulfonyl-3-(2-methyl-6-oxo-1H-1,3,5-triazin-4-yl)urea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

343.0142 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.02148 171.6
[M+Na]+ 366.00342 181.2
[M-H]- 342.00692 174.3
[M+NH4]+ 361.04802 181.0
[M+K]+ 381.97736 174.8
[M+H-H2O]+ 326.01146 163.8
[M+HCOO]- 388.01240 182.7
[M+CH3COO]- 402.02805 205.5
[M+Na-2H]- 363.98887 176.8
[M]+ 343.01365 174.5
[M]- 343.01475 174.5
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.