CID 59292860

5-bromoquinoline-8-carboxylic acid

Structural Information

Molecular Formula

C₁₀H₆BrNO₂

SMILES

C1=CC2=C(C=CC(=C2N=C1)C(=O)O)Br

InChI

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

InChIKey

SMDUUZMMJKRMDS-UHFFFAOYSA-N

Compound name

5-bromoquinoline-8-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 103
Patents: 250.95819 Da
Monoisotopic Mass: 2.4
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

No literature data available for this compound.

Patent stripe

patents stripe