CID 130769200

3-fluoro-5-iodopyridine-4-carboxylic acid

Structural Information

Molecular Formula

C₆H₃FINO₂

SMILES

C1=C(C(=C(C=N1)I)C(=O)O)F

InChI

InChI=1S/C6H3FINO2/c7-3-1-9-2-4(8)5(3)6(10)11/h1-2H,(H,10,11)

InChIKey

KRZIRDMXYUOKRN-UHFFFAOYSA-N

Compound name

3-fluoro-5-iodopyridine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 266.91925 Da
Monoisotopic Mass: 1.1
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]+	267.926526	134.6
[M+Na]+	289.908468	137.2
[M-H]-	265.911974	128.2
[M+NH4]+	284.953073	148.7
[M+K]+	305.882408	141.1
[M+H-H2O]+	249.916510	124.5
[M+HCOO]-	311.917451	150.7
[M+CH3COO]-	325.933101	183.0
[M+Na-2H]-	287.893916	128.3
[M]+	266.91870142	130.8
[M]-	266.91979858	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.