CID 197878

O-ethyl ethylphosphonothioic acid

Structural Information

Molecular Formula

C₄H₁₁O₂PS

SMILES

CCOP(=S)(CC)O

InChI

InChI=1S/C4H11O2PS/c1-3-6-7(5,8)4-2/h3-4H2,1-2H3,(H,5,8)

InChIKey

AIJQQTBLBLBZDI-UHFFFAOYSA-N

Compound name

ethoxy-ethyl-hydroxy-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 62
Patents: 154.02174 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]+	155.02902	131.6
[M+Na]+	177.01096	140.3
[M+NH4]+	172.05556	139.1
[M+K]+	192.98490	134.4
[M-H]-	153.01446	129.6
[M+Na-2H]-	174.99641	133.5
[M]+	154.02119	132.5
[M]-	154.02229	132.5

Literature stripe

literature stripe

Patent stripe

patents stripe