CID 36028

Fenamiphos sulfone

Structural Information

Molecular Formula

C₁₃H₂₂NO₅PS

SMILES

CCOP(=O)(NC(C)C)OC1=CC(=C(C=C1)S(=O)(=O)C)C

InChI

InChI=1S/C13H22NO5PS/c1-6-18-20(15,14-10(2)3)19-12-7-8-13(11(4)9-12)21(5,16)17/h7-10H,6H2,1-5H3,(H,14,15)

InChIKey

LVNYJXIBJFXIRZ-UHFFFAOYSA-N

Compound name

N-[ethoxy-(3-methyl-4-methylsulfonylphenoxy)phosphoryl]propan-2-amine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 4
References: 43
Patents: 335.09564 Da
Monoisotopic Mass: 2.0
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]+	336.10292	174.8
[M+Na]+	358.08486	182.4
[M+NH4]+	353.12946	179.1
[M+K]+	374.05880	178.1
[M-H]-	334.08836	173.1
[M+Na-2H]-	356.07031	177.1
[M]+	335.09509	175.5
[M]-	335.09619	175.5

Literature stripe

literature stripe

Patent stripe

patents stripe