CID 156276

O,s,s-tripropyl dithiophosphate

Structural Information

Molecular Formula

C₉H₂₁O₂PS₂

SMILES

CCCOP(=O)(SCCC)SCCC

InChI

InChI=1S/C9H21O2PS2/c1-4-7-11-12(10,13-8-5-2)14-9-6-3/h4-9H2,1-3H3

InChIKey

AOTHZQJQFFOUEA-UHFFFAOYSA-N

Compound name

1-bis(propylsulfanyl)phosphoryloxypropane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 256.07205 Da
Monoisotopic Mass: 4.1
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]+	257.079326	155.3
[M+Na]+	279.061268	160.9
[M-H]-	255.064774	153.8
[M+NH4]+	274.105873	173.6
[M+K]+	295.035208	157.7
[M+H-H2O]+	239.069310	147.0
[M+HCOO]-	301.070251	171.8
[M+CH3COO]-	315.085901	195.2
[M+Na-2H]-	277.046716	152.6
[M]+	256.07150142	163.0
[M]-	256.07259858	163.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe