CID 15530812

4-bromoquinoline-2-carboxylic acid

Structural Information

Molecular Formula

C₁₀H₆BrNO₂

SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C(=O)O)Br

InChI

InChI=1S/C10H6BrNO2/c11-7-5-9(10(13)14)12-8-4-2-1-3-6(7)8/h1-5H,(H,13,14)

InChIKey

DLAHQKXVDUYPHR-UHFFFAOYSA-N

Compound name

4-bromoquinoline-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 88
Patents: 250.95819 Da
Monoisotopic Mass: 2.7
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]+	251.96547	142.0
[M+Na]+	273.94741	146.6
[M+NH4]+	268.99201	146.8
[M+K]+	289.92135	146.7
[M-H]-	249.95091	142.3
[M+Na-2H]-	271.93286	145.8
[M]+	250.95764	141.5
[M]-	250.95874	141.5

Literature stripe

literature stripe

Patent stripe

patents stripe