CID 163513

Phosphorodithioic acid, s-(1,1-dimethylethyl) o-ethyl s-(1-methylpropyl) ester

Structural Information

Molecular Formula

C₁₀H₂₃O₂PS₂

SMILES

CCC(C)SP(=O)(OCC)SC(C)(C)C

InChI

InChI=1S/C10H23O2PS2/c1-7-9(3)14-13(11,12-8-2)15-10(4,5)6/h9H,7-8H2,1-6H3

InChIKey

IDRKBHUTUITVBX-UHFFFAOYSA-N

Compound name

2-[tert-butylsulfanyl(ethoxy)phosphoryl]sulfanylbutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 270.0877 Da
Monoisotopic Mass: 3.0
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	161.0
[M+Na]+	293.076918	166.1
[M-H]-	269.080424	159.6
[M+NH4]+	288.121523	178.7
[M+K]+	309.050858	163.7
[M+H-H2O]+	253.084960	153.0
[M+HCOO]-	315.085901	174.7
[M+CH3COO]-	329.101551	198.5
[M+Na-2H]-	291.062366	158.1
[M]+	270.08715142	167.8
[M]-	270.08824858	167.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe