CID 139597750

Penoxsulam metabolite sfa

Structural Information

Molecular Formula
C10H9F5N2O3S
SMILES
C1=CC(=C(C(=C1)OCC(F)F)S(=O)(=O)N=CN)C(F)(F)F
InChI
InChI=1S/C10H9F5N2O3S/c11-8(12)4-20-7-3-1-2-6(10(13,14)15)9(7)21(18,19)17-5-16/h1-3,5,8H,4H2,(H2,16,17)
InChIKey
WVAONQKOSFTAFB-UHFFFAOYSA-N
Compound name
N'-[2-(2,2-difluoroethoxy)-6-(trifluoromethyl)phenyl]sulfonylmethanimidamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

332.0254 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.03268 163.1
[M+Na]+ 355.01462 171.5
[M-H]- 331.01812 161.1
[M+NH4]+ 350.05922 176.9
[M+K]+ 370.98856 167.5
[M+H-H2O]+ 315.02266 152.0
[M+HCOO]- 377.02360 176.3
[M+CH3COO]- 391.03925 209.9
[M+Na-2H]- 353.00007 164.5
[M]+ 332.02485 159.7
[M]- 332.02595 159.7
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

No patent data available for this compound.