CID 8262

Sulfonmethane

Structural Information

Molecular Formula

C₇H₁₆O₄S₂

SMILES

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

InChI

InChI=1S/C7H16O4S2/c1-5-12(8,9)7(3,4)13(10,11)6-2/h5-6H2,1-4H3

InChIKey

CESKLHVYGRFMFP-UHFFFAOYSA-N

Compound name

2,2-bis(ethylsulfonyl)propane

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 14
References: 673
Patents: 228.049 Da
Monoisotopic Mass: 0.4
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]+	229.05628	148.6
[M+Na]+	251.03822	156.3
[M-H]-	227.04172	148.8
[M+NH4]+	246.08282	166.9
[M+K]+	267.01216	153.5
[M+H-H2O]+	211.04626	144.0
[M+HCOO]-	273.04720	157.9
[M+CH3COO]-	287.06285	184.6
[M+Na-2H]-	249.02367	152.2
[M]+	228.04845	154.0
[M]-	228.04955	154.0

Literature stripe

literature stripe

Patent stripe

patents stripe