CID 225344

86428-80-0

Structural Information

Molecular Formula

C₇H₁₅O₂PS₂

SMILES

CCC1(COP(=S)(OC1)S)CC

InChI

InChI=1S/C7H15O2PS2/c1-3-7(4-2)5-8-10(11,12)9-6-7/h3-6H2,1-2H3,(H,11,12)

InChIKey

GZOCABPPJNBAFN-UHFFFAOYSA-N

Compound name

5,5-diethyl-2-sulfanyl-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 226.02512 Da
Monoisotopic Mass: 3.4
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]+	227.03240	136.8
[M+Na]+	249.01434	143.8
[M-H]-	225.01784	140.0
[M+NH4]+	244.05894	157.4
[M+K]+	264.98828	144.1
[M+H-H2O]+	209.02238	130.7
[M+HCOO]-	271.02332	151.7
[M+CH3COO]-	285.03897	185.8
[M+Na-2H]-	246.99979	139.2
[M]+	226.02457	139.8
[M]-	226.02567	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe