CID 2762511

171178-43-1

Structural Information

Molecular Formula

C₆H₅FN₂O₂

SMILES

C1=C(C(=CN=C1F)N)C(=O)O

InChI

InChI=1S/C6H5FN2O2/c7-5-1-3(6(10)11)4(8)2-9-5/h1-2H,8H2,(H,10,11)

InChIKey

DKYUCRYPZALEMP-UHFFFAOYSA-N

Compound name

5-amino-2-fluoropyridine-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 94
Patents: 156.03351 Da
Monoisotopic Mass: 0.7
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]+	157.040786	127.1
[M+Na]+	179.022728	136.4
[M-H]-	155.026234	127.1
[M+NH4]+	174.067333	145.8
[M+K]+	194.996668	134.2
[M+H-H2O]+	139.030770	120.3
[M+HCOO]-	201.031711	148.9
[M+CH3COO]-	215.047361	175.5
[M+Na-2H]-	177.008176	132.5
[M]+	156.03296142	124.0
[M]-	156.03405858	124.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe