CID 200418

Acethion amide

Structural Information

Molecular Formula

C₆H₁₄NO₃PS₂

SMILES

CCOP(=S)(OCC)SCC(=O)N

InChI

InChI=1S/C6H14NO3PS2/c1-3-9-11(12,10-4-2)13-5-6(7)8/h3-5H2,1-2H3,(H2,7,8)

InChIKey

YHZHCEYCTFAWOU-UHFFFAOYSA-N

Compound name

2-diethoxyphosphinothioylsulfanylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 243.01527 Da
Monoisotopic Mass: 1.3
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]+	244.022546	148.2
[M+Na]+	266.004488	153.6
[M-H]-	242.007994	146.2
[M+NH4]+	261.049093	165.8
[M+K]+	281.978428	150.8
[M+H-H2O]+	226.012530	139.7
[M+HCOO]-	288.013471	165.1
[M+CH3COO]-	302.029121	192.1
[M+Na-2H]-	263.989936	145.8
[M]+	243.01472142	152.8
[M]-	243.01581858	152.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe