CID 17607421

98027-63-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

190.98885 Da
Monoisotopic Mass

-0.3
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

literature stripe

Patent stripe

patents stripe