CID 6433

Sulfonethylmethane

Structural Information

Molecular Formula

C₈H₁₈O₄S₂

SMILES

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

InChI

InChI=1S/C8H18O4S2/c1-5-8(4,13(9,10)6-2)14(11,12)7-3/h5-7H2,1-4H3

InChIKey

LKACJLUUJRMGFK-UHFFFAOYSA-N

Compound name

2,2-bis(ethylsulfonyl)butane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 8
References: 40751
Patents: 242.06465 Da
Monoisotopic Mass: 1.0
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]+	243.07193	152.9
[M+Na]+	265.05387	160.1
[M-H]-	241.05737	152.8
[M+NH4]+	260.09847	170.7
[M+K]+	281.02781	157.1
[M+H-H2O]+	225.06191	148.1
[M+HCOO]-	287.06285	161.8
[M+CH3COO]-	301.07850	187.6
[M+Na-2H]-	263.03932	156.1
[M]+	242.06410	158.6
[M]-	242.06520	158.6

Literature stripe

literature stripe

Patent stripe

patents stripe