CID 1608603

Ns00049704

Structural Information

Molecular Formula

C₁₀H₂₃O₂PS₂

SMILES

CCCCCOP(=S)(OCCCCC)S

InChI

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

InChIKey

RPOLJNCRBSMWRU-UHFFFAOYSA-N

Compound name

dipentoxy-sulfanyl-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 658
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]+	271.094976	159.7
[M+Na]+	293.076918	164.8
[M-H]-	269.080424	157.9
[M+NH4]+	288.121523	177.4
[M+K]+	309.050858	161.4
[M+H-H2O]+	253.084960	151.1
[M+HCOO]-	315.085901	175.9
[M+CH3COO]-	329.101551	198.1
[M+Na-2H]-	291.062366	156.5
[M]+	270.08715142	167.7
[M]-	270.08824858	167.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe