CID 80038

5930-71-2

Structural Information

Molecular Formula

C₄H₁₂O₄P₂S₄

SMILES

COP(=S)(OC)SSP(=S)(OC)OC

InChI

InChI=1S/C4H12O4P2S4/c1-5-9(11,6-2)13-14-10(12,7-3)8-4/h1-4H3

InChIKey

HUTQNWSTEVZUML-UHFFFAOYSA-N

Compound name

(dimethoxyphosphinothioyldisulfanyl)-dimethoxy-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 10
Patents: 313.90936 Da
Monoisotopic Mass: 3.2
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]+	314.91664	155.8
[M+Na]+	336.89858	160.6
[M-H]-	312.90208	151.7
[M+NH4]+	331.94318	169.9
[M+K]+	352.87252	154.4
[M+H-H2O]+	296.90662	143.6
[M+HCOO]-	358.90756	167.3
[M+CH3COO]-	372.92321	202.2
[M+Na-2H]-	334.88403	154.3
[M]+	313.90881	158.4
[M]-	313.90991	158.4

Literature stripe

literature stripe

Patent stripe

patents stripe