CID 121142

Tripropyl phosphorotrithioate

Structural Information

Molecular Formula

C₉H₂₁OPS₃

SMILES

CCCSP(=O)(SCCC)SCCC

InChI

InChI=1S/C9H21OPS3/c1-4-7-12-11(10,13-8-5-2)14-9-6-3/h4-9H2,1-3H3

InChIKey

CMNDDXXGJNQDJN-UHFFFAOYSA-N

Compound name

1-bis(propylsulfanyl)phosphorylsulfanylpropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 272.04922 Da
Monoisotopic Mass: 2.2
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]+	273.05650	154.6
[M+Na]+	295.03844	159.8
[M-H]-	271.04194	152.3
[M+NH4]+	290.08304	171.7
[M+K]+	311.01238	154.1
[M+H-H2O]+	255.04648	145.7
[M+HCOO]-	317.04742	164.9
[M+CH3COO]-	331.06307	198.7
[M+Na-2H]-	293.02389	150.6
[M]+	272.04867	159.4
[M]-	272.04977	159.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe