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
2
Annotation Hits

4
References

3
Patents

177.99359 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.000866 131.2
[M+Na]+ 200.982808 140.6
[M-H]- 176.986314 135.0
[M+NH4]+ 196.027413 151.5
[M+K]+ 216.956748 140.6
[M+H-H2O]+ 160.990850 126.9
[M+HCOO]- 222.991791 150.2
[M+CH3COO]- 237.007441 169.5
[M+Na-2H]- 198.968256 137.3
[M]+ 177.99304142 136.5
[M]- 177.99413858 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

patents stripe