CID 94438

Hektion

Structural Information

Molecular Formula

C₆H₁₆O₆P₂S₂

SMILES

COP(=O)(OC)SCCSP(=O)(OC)OC

InChI

InChI=1S/C6H16O6P2S2/c1-9-13(7,10-2)15-5-6-16-14(8,11-3)12-4/h5-6H2,1-4H3

InChIKey

OADXTDIYEOFAND-UHFFFAOYSA-N

Compound name

1,2-bis(dimethoxyphosphorylsulfanyl)ethane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 309.98636 Da
Monoisotopic Mass: -0.4
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]+	310.99364	159.3
[M+Na]+	332.97558	164.8
[M-H]-	308.97908	157.0
[M+NH4]+	328.02018	175.3
[M+K]+	348.94952	164.1
[M+H-H2O]+	292.98362	148.4
[M+HCOO]-	354.98456	182.4
[M+CH3COO]-	369.00021	200.8
[M+Na-2H]-	330.96103	159.1
[M]+	309.98581	170.9
[M]-	309.98691	170.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe