CID 20838856

Ns00054321

Structural Information

Molecular Formula

C₆H₁₅O₂PS₂

SMILES

CC(C)CC(C)OP(=S)(O)S

InChI

InChI=1S/C6H15O2PS2/c1-5(2)4-6(3)8-9(7,10)11/h5-6H,4H2,1-3H3,(H2,7,10,11)

InChIKey

RHIAUTCOTAEMJI-UHFFFAOYSA-N

Compound name

hydroxy-(4-methylpentan-2-yloxy)-sulfanyl-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 69
Patents: 214.02512 Da
Monoisotopic Mass: 3.3
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]+	215.032396	142.4
[M+Na]+	237.014338	148.1
[M-H]-	213.017844	140.0
[M+NH4]+	232.058943	161.4
[M+K]+	252.988278	145.7
[M+H-H2O]+	197.022380	135.0
[M+HCOO]-	259.023321	156.2
[M+CH3COO]-	273.038971	185.2
[M+Na-2H]-	234.999786	138.8
[M]+	214.02457142	145.9
[M]-	214.02566858	145.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe