CID 101669210

2-sulfoxymethylfuran

Structural Information

Molecular Formula
C5H6O5S
SMILES
C1=COC(=C1)COS(=O)(=O)O
InChI
InChI=1S/C5H6O5S/c6-11(7,8)10-4-5-2-1-3-9-5/h1-3H,4H2,(H,6,7,8)
InChIKey
ARHBKANMCICMIT-UHFFFAOYSA-N
Compound name
furan-2-ylmethyl hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

177.99359 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.00087 133.7
[M+Na]+ 200.98281 142.9
[M+NH4]+ 196.02741 140.3
[M+K]+ 216.95675 140.1
[M-H]- 176.98631 133.5
[M+Na-2H]- 198.96826 136.7
[M]+ 177.99304 135.1
[M]- 177.99414 135.1
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

No patent data available for this compound.