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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	333.032676	163.1
[M+Na]+	355.014618	171.5
[M-H]-	331.018124	161.1
[M+NH4]+	350.059223	176.9
[M+K]+	370.988558	167.5
[M+H-H2O]+	315.022660	152.0
[M+HCOO]-	377.023601	176.3
[M+CH3COO]-	391.039251	209.9
[M+Na-2H]-	353.000066	164.5
[M]+	332.02485142	159.7
[M]-	332.02594858	159.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.