CID 19395

Sulfotep

Structural Information

Molecular Formula

C₈H₂₀O₅P₂S₂

SMILES

CCOP(=S)(OCC)OP(=S)(OCC)OCC

InChI

InChI=1S/C8H20O5P2S2/c1-5-9-14(16,10-6-2)13-15(17,11-7-3)12-8-4/h5-8H2,1-4H3

InChIKey

XIUROWKZWPIAIB-UHFFFAOYSA-N

Compound name

diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 17
References: 25937
Patents: 322.02274 Da
Monoisotopic Mass: 3.9
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]+	323.03002	166.7
[M+Na]+	345.01196	171.7
[M+NH4]+	340.05656	171.2
[M+K]+	360.98590	166.0
[M-H]-	321.01546	162.4
[M+Na-2H]-	342.99741	165.4
[M]+	322.02219	166.7
[M]-	322.02329	166.7

Literature stripe

literature stripe

Patent stripe

patents stripe