CID 44754754

884494-51-3

Structural Information

Molecular Formula

C₆H₃FINO₂

SMILES

C1=CN=C(C(=C1I)C(=O)O)F

InChI

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

InChIKey

QKPLTGKHTYHYLU-UHFFFAOYSA-N

Compound name

2-fluoro-4-iodopyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 79
Patents: 266.91925 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]+	267.92653	134.6
[M+Na]+	289.90847	137.2
[M-H]-	265.91197	128.2
[M+NH4]+	284.95307	148.7
[M+K]+	305.88241	141.1
[M+H-H2O]+	249.91651	124.5
[M+HCOO]-	311.91745	150.7
[M+CH3COO]-	325.93310	183.0
[M+Na-2H]-	287.89392	128.3
[M]+	266.91870	130.8
[M]-	266.91980	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe