CID 43173202

5-bromo-4-(methylsulfamoyl)thiophene-2-carboxylic acid

Structural Information

Molecular Formula
C6H6BrNO4S2
SMILES
CNS(=O)(=O)C1=C(SC(=C1)C(=O)O)Br
InChI
InChI=1S/C6H6BrNO4S2/c1-8-14(11,12)4-2-3(6(9)10)13-5(4)7/h2,8H,1H3,(H,9,10)
InChIKey
OQNHSGXIZPQGLR-UHFFFAOYSA-N
Compound name
5-bromo-4-(methylsulfamoyl)thiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.89215 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.89943 138.9
[M+Na]+ 321.88137 137.8
[M+NH4]+ 316.92597 141.9
[M+K]+ 337.85531 140.1
[M-H]- 297.88487 136.7
[M+Na-2H]- 319.86682 139.1
[M]+ 298.89160 137.4
[M]- 298.89270 137.4
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.