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 145.3
[M+Na]+ 335.89702 157.8
[M-H]- 311.90052 152.1
[M+NH4]+ 330.94162 165.7
[M+K]+ 351.87096 146.0
[M+H-H2O]+ 295.90506 145.5
[M+HCOO]- 357.90600 156.9
[M+CH3COO]- 371.92165 198.1
[M+Na-2H]- 333.88247 148.1
[M]+ 312.90725 167.9
[M]- 312.90835 167.9
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.