CID 17221133

944894-40-0

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 162.9
[M+Na]+ 309.98144 172.5
[M-H]- 285.98494 170.2
[M+NH4]+ 305.02604 180.4
[M+K]+ 325.95538 169.7
[M+H-H2O]+ 269.98948 158.3
[M+HCOO]- 331.99042 178.8
[M+CH3COO]- 346.00607 191.3
[M+Na-2H]- 307.96689 164.9
[M]+ 286.99167 169.1
[M]- 286.99277 169.1
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.