CID 47491

Chlorsulfuron

Structural Information

Molecular Formula
C12H12ClN5O4S
SMILES
CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2Cl
InChI
InChI=1S/C12H12ClN5O4S/c1-7-14-10(17-12(15-7)22-2)16-11(19)18-23(20,21)9-6-4-3-5-8(9)13/h3-6H,1-2H3,(H2,14,15,16,17,18,19)
InChIKey
VJYIFXVZLXQVHO-UHFFFAOYSA-N
Compound name
1-(2-chlorophenyl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

157
References

49533
Patents

357.02985 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.03713 175.9
[M+Na]+ 380.01907 185.3
[M-H]- 356.02257 179.8
[M+NH4]+ 375.06367 185.4
[M+K]+ 395.99301 180.1
[M+H-H2O]+ 340.02711 167.4
[M+HCOO]- 402.02805 188.0
[M+CH3COO]- 416.04370 211.3
[M+Na-2H]- 378.00452 181.1
[M]+ 357.02930 181.6
[M]- 357.03040 181.6
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.