CID 17221133

3-[(furan-2-ylmethyl)sulfamoyl]thiophene-2-carboxylic acid

Structural Information

Molecular Formula
C10H9NO5S2
SMILES
C1=COC(=C1)CNS(=O)(=O)C2=C(SC=C2)C(=O)O
InChI
InChI=1S/C10H9NO5S2/c12-10(13)9-8(3-5-17-9)18(14,15)11-6-7-2-1-4-16-7/h1-5,11H,6H2,(H,12,13)
InChIKey
XUVAUTPGMXILEW-UHFFFAOYSA-N
Compound name
3-(furan-2-ylmethylsulfamoyl)thiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.99222 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.99950 162.5
[M+Na]+ 309.98144 170.5
[M+NH4]+ 305.02604 168.5
[M+K]+ 325.95538 167.5
[M-H]- 285.98494 164.3
[M+Na-2H]- 307.96689 165.8
[M]+ 286.99167 164.7
[M]- 286.99277 164.7
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

No patent data available for this compound.