CID 43351490

5-bromo-4-sulfamoylthiophene-2-carboxylic acid

Structural Information

Molecular Formula
C5H4BrNO4S2
SMILES
C1=C(SC(=C1S(=O)(=O)N)Br)C(=O)O
InChI
InChI=1S/C5H4BrNO4S2/c6-4-3(13(7,10)11)1-2(12-4)5(8)9/h1H,(H,8,9)(H2,7,10,11)
InChIKey
NQEBGFJRWNZOHK-UHFFFAOYSA-N
Compound name
5-bromo-4-sulfamoylthiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.8765 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.88378 137.6
[M+Na]+ 307.86572 150.8
[M-H]- 283.86922 142.7
[M+NH4]+ 302.91032 158.2
[M+K]+ 323.83966 137.6
[M+H-H2O]+ 267.87376 138.2
[M+HCOO]- 329.87470 148.8
[M+CH3COO]- 343.89035 189.1
[M+Na-2H]- 305.85117 140.7
[M]+ 284.87595 157.4
[M]- 284.87705 157.4
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.