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

46479
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

literature stripe

Patent stripe

patents stripe