CID 54592816

5-methanesulfonylfuran-2-carboxylic acid

Structural Information

Molecular Formula
C6H6O5S
SMILES
CS(=O)(=O)C1=CC=C(O1)C(=O)O
InChI
InChI=1S/C6H6O5S/c1-12(9,10)5-3-2-4(11-5)6(7)8/h2-3H,1H3,(H,7,8)
InChIKey
ZREDSSGHFVMCQP-UHFFFAOYSA-N
Compound name
5-methylsulfonylfuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

189.99359 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.00087 137.5
[M+Na]+ 212.98281 146.5
[M+NH4]+ 208.02741 143.6
[M+K]+ 228.95675 144.5
[M-H]- 188.98631 136.8
[M+Na-2H]- 210.96826 139.6
[M]+ 189.99304 138.7
[M]- 189.99414 138.7
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