CID 138006922

4-sulfamoylfuran-2-carboxylic acid

Structural Information

Molecular Formula
C5H5NO5S
SMILES
C1=C(OC=C1S(=O)(=O)N)C(=O)O
InChI
InChI=1S/C5H5NO5S/c6-12(9,10)3-1-4(5(7)8)11-2-3/h1-2H,(H,7,8)(H2,6,9,10)
InChIKey
USSRTJLYYKZDJX-UHFFFAOYSA-N
Compound name
4-sulfamoylfuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.98885 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.99613 134.5
[M+Na]+ 213.97807 143.6
[M-H]- 189.98157 137.9
[M+NH4]+ 209.02267 153.6
[M+K]+ 229.95201 142.9
[M+H-H2O]+ 173.98611 129.9
[M+HCOO]- 235.98705 152.8
[M+CH3COO]- 250.00270 175.2
[M+Na-2H]- 211.96352 138.4
[M]+ 190.98830 137.0
[M]- 190.98940 137.0
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

No patent data available for this compound.