CID 6452819

Phosphorothioic acid, o,o-bis(2-methylpropyl) ester, sodium salt

Structural Information

Molecular Formula

C₈H₁₉O₃PS

SMILES

CC(C)COP(=S)(O)OCC(C)C

InChI

InChI=1S/C8H19O3PS/c1-7(2)5-10-12(9,13)11-6-8(3)4/h7-8H,5-6H2,1-4H3,(H,9,13)

InChIKey

JOVBTVIBOUJCPQ-UHFFFAOYSA-N

Compound name

hydroxy-bis(2-methylpropoxy)-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 146
Patents: 226.07925 Da
Monoisotopic Mass: 3.4
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]+	227.08653	151.6
[M+Na]+	249.06847	158.3
[M+NH4]+	244.11307	157.6
[M+K]+	265.04241	153.7
[M-H]-	225.07197	148.5
[M+Na-2H]-	247.05392	151.5
[M]+	226.07870	151.8
[M]-	226.07980	151.8

Literature stripe

literature stripe

Patent stripe

patents stripe