CID 18609

Aspon

Structural Information

Molecular Formula

C₁₂H₂₈O₅P₂S₂

SMILES

CCCOP(=S)(OCCC)OP(=S)(OCCC)OCCC

InChI

InChI=1S/C12H28O5P2S2/c1-5-9-13-18(20,14-10-6-2)17-19(21,15-11-7-3)16-12-8-4/h5-12H2,1-4H3

InChIKey

IIDFEIDMIKSJSV-UHFFFAOYSA-N

Compound name

dipropoxyphosphinothioyloxy-dipropoxy-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 0
References: 1060
Patents: 378.08533 Da
Monoisotopic Mass: 6.0
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]+	379.09261	182.1
[M+Na]+	401.07455	186.2
[M+NH4]+	396.11915	185.9
[M+K]+	417.04849	179.7
[M-H]-	377.07805	177.6
[M+Na-2H]-	399.06000	180.0
[M]+	378.08478	181.8
[M]-	378.08588	181.8

Literature stripe

literature stripe

Patent stripe

patents stripe