CID 96232

Diisopropyl sulfone

Structural Information

Molecular Formula

C₆H₁₄O₂S

SMILES

CC(C)S(=O)(=O)C(C)C

InChI

InChI=1S/C6H14O2S/c1-5(2)9(7,8)6(3)4/h5-6H,1-4H3

InChIKey

ZDULHUHNYHJYKA-UHFFFAOYSA-N

Compound name

2-propan-2-ylsulfonylpropane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 3867
Patents: 150.07146 Da
Monoisotopic Mass: 1.2
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]+	151.07874	129.4
[M+Na]+	173.06068	136.9
[M-H]-	149.06418	130.3
[M+NH4]+	168.10528	151.3
[M+K]+	189.03462	136.6
[M+H-H2O]+	133.06872	125.3
[M+HCOO]-	195.06966	145.0
[M+CH3COO]-	209.08531	175.3
[M+Na-2H]-	171.04613	131.3
[M]+	150.07091	132.5
[M]-	150.07201	132.5

Literature stripe

literature stripe

Patent stripe

patents stripe