CID 610409

4-bromo-2-thiophenecarboxylic acid

Structural Information

Molecular Formula

C₅H₃BrO₂S

SMILES

C1=C(SC=C1Br)C(=O)O

InChI

InChI=1S/C5H3BrO2S/c6-3-1-4(5(7)8)9-2-3/h1-2H,(H,7,8)

InChIKey

HJZFPRVFLBBAMU-UHFFFAOYSA-N

Compound name

4-bromothiophene-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 612
Patents: 205.90372 Da
Monoisotopic Mass: 2.2
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]+	206.91100	126.5
[M+Na]+	228.89294	128.1
[M+NH4]+	223.93754	131.6
[M+K]+	244.86688	129.6
[M-H]-	204.89644	125.9
[M+Na-2H]-	226.87839	128.6
[M]+	205.90317	125.6
[M]-	205.90427	125.6

Literature stripe

literature stripe

Patent stripe

patents stripe