CID 107142

3659-04-9

Structural Information

Molecular Formula

C₈H₁₅O₄PS₂

SMILES

CCOP(=S)(OCC)SC1CCOC1=O

InChI

InChI=1S/C8H15O4PS2/c1-3-11-13(14,12-4-2)15-7-5-6-10-8(7)9/h7H,3-6H2,1-2H3

InChIKey

UJAJJOWXZNLLEO-UHFFFAOYSA-N

Compound name

3-diethoxyphosphinothioylsulfanyloxolan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 270.01492 Da
Monoisotopic Mass: 2.5
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]+	271.02220	154.8
[M+Na]+	293.00414	161.4
[M-H]-	269.00764	157.4
[M+NH4]+	288.04874	172.9
[M+K]+	308.97808	160.3
[M+H-H2O]+	253.01218	147.5
[M+HCOO]-	315.01312	171.7
[M+CH3COO]-	329.02877	192.4
[M+Na-2H]-	290.98959	152.7
[M]+	270.01437	160.7
[M]-	270.01547	160.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe