CID 80129

6028-51-9

Structural Information

Molecular Formula

C₂₄H₅₁O₂PS₂

SMILES

CCCCCCCCCCCCOP(=S)(OCCCCCCCCCCCC)S

InChI

InChI=1S/C24H51O2PS2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27(28,29)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H,28,29)

InChIKey

RZAQYVWTBXBLLW-UHFFFAOYSA-N

Compound name

didodecoxy-sulfanyl-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 510
Patents: 466.30682 Da
Monoisotopic Mass: 12.8
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]+	467.31410	218.4
[M+Na]+	489.29604	217.6
[M-H]-	465.29954	213.9
[M+NH4]+	484.34064	231.4
[M+K]+	505.26998	210.8
[M+H-H2O]+	449.30408	207.2
[M+HCOO]-	511.30502	246.4
[M+CH3COO]-	525.32067	238.6
[M+Na-2H]-	487.28149	209.4
[M]+	466.30627	231.4
[M]-	466.30737	231.4

Literature stripe

literature stripe

Patent stripe

patents stripe