CID 11709

Propyl sulfone

Structural Information

Molecular Formula

C₆H₁₄O₂S

SMILES

CCCS(=O)(=O)CCC

InChI

InChI=1S/C6H14O2S/c1-3-5-9(7,8)6-4-2/h3-6H2,1-2H3

InChIKey

JEXYCADTAFPULN-UHFFFAOYSA-N

Compound name

1-propylsulfonylpropane

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 5
References: 6814
Patents: 150.07146 Da
Monoisotopic Mass: 1.4
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]+	151.07874	130.2
[M+Na]+	173.06068	138.3
[M-H]-	149.06418	130.9
[M+NH4]+	168.10528	152.2
[M+K]+	189.03462	137.0
[M+H-H2O]+	133.06872	125.9
[M+HCOO]-	195.06966	147.8
[M+CH3COO]-	209.08531	173.6
[M+Na-2H]-	171.04613	134.3
[M]+	150.07091	134.5
[M]-	150.07201	134.5

Literature stripe

literature stripe

Patent stripe

patents stripe