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 131.2
[M+Na]+ 200.98281 140.6
[M-H]- 176.98631 135.0
[M+NH4]+ 196.02741 151.5
[M+K]+ 216.95675 140.6
[M+H-H2O]+ 160.99085 126.9
[M+HCOO]- 222.99179 150.2
[M+CH3COO]- 237.00744 169.5
[M+Na-2H]- 198.96826 137.3
[M]+ 177.99304 136.5
[M]- 177.99414 136.5
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.