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

25002
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 185.9
[M+Na]+ 430.04034 194.2
[M-H]- 406.04384 185.5
[M+NH4]+ 425.08494 192.1
[M+K]+ 446.01428 190.0
[M+H-H2O]+ 390.04838 174.0
[M+HCOO]- 452.04932 197.5
[M+CH3COO]- 466.06497 220.7
[M+Na-2H]- 428.02579 190.9
[M]+ 407.05057 187.3
[M]- 407.05167 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.