CID 110207

Einecs 270-221-7

Structural Information

Molecular Formula

C₁₀H₂₃O₂PS₂

SMILES

CCCCCCOP(=S)(OCCCC)S

InChI

InChI=1S/C10H23O2PS2/c1-3-5-7-8-10-12-13(14,15)11-9-6-4-2/h3-10H2,1-2H3,(H,14,15)

InChIKey

IBSWMEZKOADXSR-UHFFFAOYSA-N

Compound name

butoxy-hexoxy-sulfanyl-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 270.0877 Da
Monoisotopic Mass: 5.3
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]+	271.09498	159.7
[M+Na]+	293.07692	164.8
[M-H]-	269.08042	157.9
[M+NH4]+	288.12152	177.4
[M+K]+	309.05086	161.4
[M+H-H2O]+	253.08496	151.1
[M+HCOO]-	315.08590	175.9
[M+CH3COO]-	329.10155	198.1
[M+Na-2H]-	291.06237	156.5
[M]+	270.08715	167.7
[M]-	270.08825	167.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe