CID 233262

2-bromonicotinic acid

Structural Information

Molecular Formula

C₆H₄BrNO₂

SMILES

C1=CC(=C(N=C1)Br)C(=O)O

InChI

InChI=1S/C6H4BrNO2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H,9,10)

InChIKey

MMWNKXIFVYQOTK-UHFFFAOYSA-N

Compound name

2-bromopyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 12
References: 766
Patents: 200.94254 Da
Monoisotopic Mass: 1.4
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]+	201.94982	130.8
[M+Na]+	223.93176	134.2
[M+NH4]+	218.97636	135.0
[M+K]+	239.90570	135.3
[M-H]-	199.93526	130.1
[M+Na-2H]-	221.91721	134.4
[M]+	200.94199	129.7
[M]-	200.94309	129.7

Literature stripe

literature stripe

Patent stripe

patents stripe