CID 77739

O-methyl s,s-dipropyl phosphorodithioate

Structural Information

Molecular Formula

C₇H₁₇O₂PS₂

SMILES

CCCSP(=O)(OC)SCCC

InChI

InChI=1S/C7H17O2PS2/c1-4-6-11-10(8,9-3)12-7-5-2/h4-7H2,1-3H3

InChIKey

FAGCJRZVMYZXSR-UHFFFAOYSA-N

Compound name

1-[methoxy(propylsulfanyl)phosphoryl]sulfanylpropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 228.04076 Da
Monoisotopic Mass: 2.1
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]+	229.048036	146.6
[M+Na]+	251.029978	153.0
[M-H]-	227.033484	145.4
[M+NH4]+	246.074583	166.0
[M+K]+	267.003918	150.3
[M+H-H2O]+	211.038020	138.6
[M+HCOO]-	273.038961	163.7
[M+CH3COO]-	287.054611	189.3
[M+Na-2H]-	249.015426	144.8
[M]+	228.04021142	153.5
[M]-	228.04130858	153.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe