CID 754080

2-hydroxy-5-(thiophene-2-sulfonylamino)-benzoic acid

Structural Information

Molecular Formula
C11H9NO5S2
SMILES
C1=CSC(=C1)S(=O)(=O)NC2=CC(=C(C=C2)O)C(=O)O
InChI
InChI=1S/C11H9NO5S2/c13-9-4-3-7(6-8(9)11(14)15)12-19(16,17)10-2-1-5-18-10/h1-6,12-13H,(H,14,15)
InChIKey
AVIOICZIPMVMFG-UHFFFAOYSA-N
Compound name
2-hydroxy-5-(thiophen-2-ylsulfonylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.99222 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.99950 163.6
[M+Na]+ 321.98144 171.4
[M-H]- 297.98494 167.9
[M+NH4]+ 317.02604 179.0
[M+K]+ 337.95538 166.2
[M+H-H2O]+ 281.98948 158.0
[M+HCOO]- 343.99042 175.8
[M+CH3COO]- 358.00607 193.1
[M+Na-2H]- 319.96689 165.1
[M]+ 298.99167 165.8
[M]- 298.99277 165.8
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.