CID 93539

Flazasulfuron

Structural Information

Molecular Formula
C13H12F3N5O5S
SMILES
COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC=N2)C(F)(F)F)OC
InChI
InChI=1S/C13H12F3N5O5S/c1-25-8-6-9(26-2)19-11(18-8)20-12(22)21-27(23,24)10-7(13(14,15)16)4-3-5-17-10/h3-6H,1-2H3,(H2,18,19,20,21,22)
InChIKey
HWATZEJQIXKWQS-UHFFFAOYSA-N
Compound name
1-(4,6-dimethoxypyrimidin-2-yl)-3-[3-(trifluoromethyl)pyridin-2-yl]sulfonylurea
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

16
References

21021
Patents

407.05112 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.05840 181.8
[M+Na]+ 430.04034 187.8
[M+NH4]+ 425.08494 182.3
[M+K]+ 446.01428 185.1
[M-H]- 406.04384 176.9
[M+Na-2H]- 428.02579 184.9
[M]+ 407.05057 180.9
[M]- 407.05167 180.9
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