CID 111353

68715-90-2

Structural Information

Molecular Formula

C₆H₁₅O₂PS₂

SMILES

CCC(C)OP(=S)(OCC)S

InChI

InChI=1S/C6H15O2PS2/c1-4-6(3)8-9(10,11)7-5-2/h6H,4-5H2,1-3H3,(H,10,11)

InChIKey

UPJRTKXAGROJTG-UHFFFAOYSA-N

Compound name

butan-2-yloxy-ethoxy-sulfanyl-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 14
Patents: 214.02512 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]+	215.03240	142.1
[M+Na]+	237.01434	148.6
[M-H]-	213.01784	141.2
[M+NH4]+	232.05894	161.9
[M+K]+	252.98828	146.7
[M+H-H2O]+	197.02238	134.4
[M+HCOO]-	259.02332	158.4
[M+CH3COO]-	273.03897	187.0
[M+Na-2H]-	234.99979	139.8
[M]+	214.02457	148.1
[M]-	214.02567	148.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe