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)-2-pyridinyl]sulfonyl]urea
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

16
References

25246
Patents

407.05112 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.058396 185.9
[M+Na]+ 430.040338 194.2
[M-H]- 406.043844 185.5
[M+NH4]+ 425.084943 192.1
[M+K]+ 446.014278 190.0
[M+H-H2O]+ 390.048380 174.0
[M+HCOO]- 452.049321 197.5
[M+CH3COO]- 466.064971 220.7
[M+Na-2H]- 428.025786 190.9
[M]+ 407.05057142 187.3
[M]- 407.05166858 187.3
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