CID 99156

26190-34-1

Structural Information

Molecular Formula

C₅H₁₀NO₂PS₂

SMILES

CCOP(=S)(N=C=S)OCC

InChI

InChI=1S/C5H10NO2PS2/c1-3-7-9(11,6-5-10)8-4-2/h3-4H2,1-2H3

InChIKey

QIXNLESENCPOSX-UHFFFAOYSA-N

Compound name

diethoxy-isothiocyanato-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 210.98906 Da
Monoisotopic Mass: 3.7
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]+	211.996336	139.0
[M+Na]+	233.978278	146.3
[M-H]-	209.981784	139.5
[M+NH4]+	229.022883	159.2
[M+K]+	249.952218	143.6
[M+H-H2O]+	193.986320	130.7
[M+HCOO]-	255.987261	159.4
[M+CH3COO]-	270.002911	188.0
[M+Na-2H]-	231.963726	139.0
[M]+	210.98851142	144.7
[M]-	210.98960858	144.7

Literature stripe

literature stripe

Patent stripe

patents stripe