CID 23426

6996-81-2

Structural Information

Molecular Formula

C₅H₁₃O₂PS

SMILES

CCOP(=S)(C)OCC

InChI

InChI=1S/C5H13O2PS/c1-4-6-8(3,9)7-5-2/h4-5H2,1-3H3

InChIKey

GEDUXIUTPVHAAV-UHFFFAOYSA-N

Compound name

diethoxy-methyl-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 74
Patents: 168.03738 Da
Monoisotopic Mass: 1.9
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]+	169.044656	134.6
[M+Na]+	191.026598	142.4
[M-H]-	167.030104	134.3
[M+NH4]+	186.071203	156.6
[M+K]+	207.000538	141.9
[M+H-H2O]+	151.034640	127.9
[M+HCOO]-	213.035581	158.0
[M+CH3COO]-	227.051231	178.5
[M+Na-2H]-	189.012046	135.9
[M]+	168.03683142	140.8
[M]-	168.03792858	140.8

Literature stripe

literature stripe

Patent stripe

patents stripe