CID 13084212

56070-14-5

Structural Information

Molecular Formula

C₉H₂₁O₃PS₂

SMILES

CCOP(=O)(OCC)SCSC(C)(C)C

InChI

InChI=1S/C9H21O3PS2/c1-6-11-13(10,12-7-2)15-8-14-9(3,4)5/h6-8H2,1-5H3

InChIKey

ULQPHYVGZGUIJR-UHFFFAOYSA-N

Compound name

2-(diethoxyphosphorylsulfanylmethylsulfanyl)-2-methylpropane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 7
Patents: 272.067 Da
Monoisotopic Mass: 2.7
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]+	273.07428	160.7
[M+Na]+	295.05622	166.3
[M-H]-	271.05972	159.3
[M+NH4]+	290.10082	178.3
[M+K]+	311.03016	164.0
[M+H-H2O]+	255.06426	152.5
[M+HCOO]-	317.06520	176.0
[M+CH3COO]-	331.08085	196.8
[M+Na-2H]-	293.04167	159.4
[M]+	272.06645	169.0
[M]-	272.06755	169.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe