CID 91751

Prosulfuron

Structural Information

Molecular Formula
C15H16F3N5O4S
SMILES
CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2CCC(F)(F)F
InChI
InChI=1S/C15H16F3N5O4S/c1-9-19-12(22-14(20-9)27-2)21-13(24)23-28(25,26)11-6-4-3-5-10(11)7-8-15(16,17)18/h3-6H,7-8H2,1-2H3,(H2,19,20,21,22,23,24)
InChIKey
LTUNNEGNEKBSEH-UHFFFAOYSA-N
Compound name
1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(3,3,3-trifluoropropyl)phenyl]sulfonylurea
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

18
References

27937
Patents

419.08752 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.09480 191.9
[M+Na]+ 442.07674 199.7
[M-H]- 418.08024 191.3
[M+NH4]+ 437.12134 197.8
[M+K]+ 458.05068 194.4
[M+H-H2O]+ 402.08478 179.8
[M+HCOO]- 464.08572 202.8
[M+CH3COO]- 478.10137 224.3
[M+Na-2H]- 440.06219 195.7
[M]+ 419.08697 192.7
[M]- 419.08807 192.7
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.