CID 70700873

6-bromo-3-fluoropicolinic acid

Structural Information

Molecular Formula

C₆H₃BrFNO₂

SMILES

C1=CC(=NC(=C1F)C(=O)O)Br

InChI

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

InChIKey

XCYYBWHCNWDFMO-UHFFFAOYSA-N

Compound name

6-bromo-3-fluoropyridine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 63
Patents: 218.93312 Da
Monoisotopic Mass: 1.8
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	136.8
[M+Na]+	241.92234	139.6
[M+NH4]+	236.96694	140.3
[M+K]+	257.89628	140.7
[M-H]-	217.92584	134.7
[M+Na-2H]-	239.90779	139.2
[M]+	218.93257	135.2
[M]-	218.93367	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe