CID 46835623

938066-15-0

Structural Information

Molecular Formula

C₅H₄BrNO₄S₂

SMILES

C1=C(SC(=C1C(=O)O)Br)S(=O)(=O)N

InChI

InChI=1S/C5H4BrNO4S2/c6-4-2(5(8)9)1-3(12-4)13(7,10)11/h1H,(H,8,9)(H2,7,10,11)

InChIKey

LSWSLKPCPFDKHR-UHFFFAOYSA-N

Compound name

2-bromo-5-sulfamoylthiophene-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 284.8765 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe