CID 161927

Ethanol, 2,2'-[oxybis(methylenesulfonyl)]bis-

Structural Information

Molecular Formula
C6H14O7S2
SMILES
C(CS(=O)(=O)COCS(=O)(=O)CCO)O
InChI
InChI=1S/C6H14O7S2/c7-1-3-14(9,10)5-13-6-15(11,12)4-2-8/h7-8H,1-6H2
InChIKey
VOICNDJRJIUWRG-UHFFFAOYSA-N
Compound name
2-(2-hydroxyethylsulfonylmethoxymethylsulfonyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.0181 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.02538 153.8
[M+Na]+ 285.00732 159.7
[M-H]- 261.01082 150.5
[M+NH4]+ 280.05192 168.8
[M+K]+ 300.98126 156.2
[M+H-H2O]+ 245.01536 148.6
[M+HCOO]- 307.01630 162.5
[M+CH3COO]- 321.03195 182.6
[M+Na-2H]- 282.99277 157.0
[M]+ 262.01755 159.7
[M]- 262.01865 159.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe