CID 24721371

29241-66-5

Structural Information

Molecular Formula

C₆H₃BrFNO₂

SMILES

C1=C(C=NC(=C1C(=O)O)F)Br

InChI

InChI=1S/C6H3BrFNO2/c7-3-1-4(6(10)11)5(8)9-2-3/h1-2H,(H,10,11)

InChIKey

VUGXRWXIIOSMCF-UHFFFAOYSA-N

Compound name

5-bromo-2-fluoropyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 186
Patents: 218.93312 Da
Monoisotopic Mass: 1.5
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]+	219.94040	132.4
[M+Na]+	241.92234	145.4
[M-H]-	217.92584	135.6
[M+NH4]+	236.96694	152.7
[M+K]+	257.89628	134.5
[M+H-H2O]+	201.93038	131.8
[M+HCOO]-	263.93132	151.4
[M+CH3COO]-	277.94697	181.9
[M+Na-2H]-	239.90779	139.6
[M]+	218.93257	149.7
[M]-	218.93367	149.7

Literature stripe

literature stripe

Patent stripe

patents stripe