CID 93995

32650-55-8

Structural Information

Molecular Formula

C₁₀H₂₃O₂PS₂

SMILES

CC(C)CCOP(=S)(OCCC(C)C)S

InChI

InChI=1S/C10H23O2PS2/c1-9(2)5-7-11-13(14,15)12-8-6-10(3)4/h9-10H,5-8H2,1-4H3,(H,14,15)

InChIKey

MTGAEKMYDSYMMC-UHFFFAOYSA-N

Compound name

bis(3-methylbutoxy)-sulfanyl-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 74
Patents: 270.0877 Da
Monoisotopic Mass: 5.1
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]+	271.09498	159.5
[M+Na]+	293.07692	164.0
[M-H]-	269.08042	157.9
[M+NH4]+	288.12152	177.1
[M+K]+	309.05086	161.6
[M+H-H2O]+	253.08496	151.1
[M+HCOO]-	315.08590	173.6
[M+CH3COO]-	329.10155	199.5
[M+Na-2H]-	291.06237	154.6
[M]+	270.08715	166.4
[M]-	270.08825	166.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe