CID 94515

Ethanol, 2,2'-[methylenebis(sulfonyl)]bis-

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

32
Patents

232.00754 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.01482 147.0
[M+Na]+ 254.99676 153.7
[M-H]- 231.00026 144.0
[M+NH4]+ 250.04136 163.3
[M+K]+ 270.97070 149.8
[M+H-H2O]+ 215.00480 142.2
[M+HCOO]- 277.00574 155.7
[M+CH3COO]- 291.02139 177.5
[M+Na-2H]- 252.98221 150.1
[M]+ 232.00699 151.1
[M]- 232.00809 151.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe