CID 36027

Fenamiphos sulfoxide

Structural Information

Molecular Formula

C₁₃H₂₂NO₄PS

SMILES

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

InChI

InChI=1S/C13H22NO4PS/c1-6-17-19(15,14-10(2)3)18-12-7-8-13(20(5)16)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)

InChIKey

LUQMWGMGWJEGAT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 5
References: 47
Patents: 319.1007 Da
Monoisotopic Mass: 1.8
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]+	320.10798	170.6
[M+Na]+	342.08992	176.2
[M-H]-	318.09342	173.0
[M+NH4]+	337.13452	185.8
[M+K]+	358.06386	174.7
[M+H-H2O]+	302.09796	161.4
[M+HCOO]-	364.09890	192.6
[M+CH3COO]-	378.11455	209.8
[M+Na-2H]-	340.07537	168.4
[M]+	319.10015	177.7
[M]-	319.10125	177.7

Literature stripe

literature stripe

Patent stripe

patents stripe