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

8
Annotation Hits: 17
References: 32473
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]+	323.030016	166.0
[M+Na]+	345.011958	171.0
[M-H]-	321.015464	163.4
[M+NH4]+	340.056563	181.7
[M+K]+	360.985898	169.3
[M+H-H2O]+	305.020000	154.9
[M+HCOO]-	367.020941	188.2
[M+CH3COO]-	381.036591	204.6
[M+Na-2H]-	342.997406	164.4
[M]+	322.02219142	176.9
[M]-	322.02328858	176.9

Literature stripe

literature stripe

Patent stripe

patents stripe