CID 94515

41123-69-7

Structural Information

Molecular Formula

C₅H₁₂O₆S₂

SMILES

C(CS(=O)(=O)CS(=O)(=O)CCO)O

InChI

InChI=1S/C5H12O6S2/c6-1-3-12(8,9)5-13(10,11)4-2-7/h6-7H,1-5H2

InChIKey

FBKUSAIWUANQNH-UHFFFAOYSA-N

Compound name

2-(2-hydroxyethylsulfonylmethylsulfonyl)ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 29
Patents: 232.00754 Da
Monoisotopic Mass: -2.3
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]+	233.01482	151.5
[M+Na]+	254.99676	157.0
[M+NH4]+	250.04136	155.5
[M+K]+	270.97070	152.1
[M-H]-	231.00026	145.9
[M+Na-2H]-	252.98221	149.9
[M]+	232.00699	151.1
[M]-	232.00809	151.1

Literature stripe

literature stripe

Patent stripe

patents stripe