CID 655

2465-65-8

Structural Information

Molecular Formula

C₄H₁₁O₃PS

SMILES

CCOP(=S)(O)OCC

InChI

InChI=1S/C4H11O3PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3,(H,5,9)

InChIKey

PKUWKAXTAVNIJR-UHFFFAOYSA-N

Compound name

diethoxy-hydroxy-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 55
References: 2141
Patents: 170.01665 Da
Monoisotopic Mass: 1.4
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]+	171.02393	134.0
[M+Na]+	193.00587	141.6
[M-H]-	169.00937	132.3
[M+NH4]+	188.05047	155.0
[M+K]+	208.97981	140.7
[M+H-H2O]+	153.01391	127.4
[M+HCOO]-	215.01485	156.4
[M+CH3COO]-	229.03050	174.7
[M+Na-2H]-	190.99132	135.5
[M]+	170.01610	139.2
[M]-	170.01720	139.2

Literature stripe

literature stripe

Patent stripe

patents stripe