CID 43245253

5-bromo-4-(n,n-dimethylsulfamoyl)thiophene-2-carboxylic acid

Structural Information

Molecular Formula
C7H8BrNO4S2
SMILES
CN(C)S(=O)(=O)C1=C(SC(=C1)C(=O)O)Br
InChI
InChI=1S/C7H8BrNO4S2/c1-9(2)15(12,13)5-3-4(7(10)11)14-6(5)8/h3H,1-2H3,(H,10,11)
InChIKey
NZUYBGCSAKFWAL-UHFFFAOYSA-N
Compound name
5-bromo-4-(dimethylsulfamoyl)thiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.9078 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.91508 141.0
[M+Na]+ 335.89702 140.0
[M+NH4]+ 330.94162 144.2
[M+K]+ 351.87096 142.6
[M-H]- 311.90052 139.1
[M+Na-2H]- 333.88247 141.4
[M]+ 312.90725 139.7
[M]- 312.90835 139.7
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.