CID 4962509

5-bromo-n-hydroxythiophene-2-carboxamide

Structural Information

Molecular Formula

C₅H₄BrNO₂S

SMILES

C1=C(SC(=C1)Br)C(=O)NO

InChI

InChI=1S/C5H4BrNO2S/c6-4-2-1-3(10-4)5(8)7-9/h1-2,9H,(H,7,8)

InChIKey

DUAVGTBNUROKDD-UHFFFAOYSA-N

Compound name

5-bromo-N-hydroxythiophene-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 220.91461 Da
Monoisotopic Mass: 1.7
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]+	221.92189	131.0
[M+Na]+	243.90383	131.4
[M+NH4]+	238.94843	135.6
[M+K]+	259.87777	133.2
[M-H]-	219.90733	130.5
[M+Na-2H]-	241.88928	132.7
[M]+	220.91406	129.8
[M]-	220.91516	129.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.