CID 55138

Fosmethilan

Structural Information

Molecular Formula

C₁₃H₁₉ClNO₃PS₂

SMILES

CCCC(=O)N(CSP(=S)(OC)OC)C1=CC=CC=C1Cl

InChI

InChI=1S/C13H19ClNO3PS2/c1-4-7-13(16)15(10-21-19(20,17-2)18-3)12-9-6-5-8-11(12)14/h5-6,8-9H,4,7,10H2,1-3H3

InChIKey

MVBGKYGTNGPFHT-UHFFFAOYSA-N

Compound name

N-(2-chlorophenyl)-N-(dimethoxyphosphinothioylsulfanylmethyl)butanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 8822
Patents: 367.02325 Da
Monoisotopic Mass: 4.2
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]+	368.03053	174.2
[M+Na]+	390.01247	179.9
[M-H]-	366.01597	177.7
[M+NH4]+	385.05707	189.1
[M+K]+	405.98641	175.4
[M+H-H2O]+	350.02051	165.6
[M+HCOO]-	412.02145	187.7
[M+CH3COO]-	426.03710	216.0
[M+Na-2H]-	387.99792	171.6
[M]+	367.02270	183.4
[M]-	367.02380	183.4

Literature stripe

literature stripe

Patent stripe

patents stripe