CID 11435243

2-chloro-5-fluoronicotinic acid

Structural Information

Molecular Formula

C₆H₃ClFNO₂

SMILES

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

InChI

InChI=1S/C6H3ClFNO2/c7-5-4(6(10)11)1-3(8)2-9-5/h1-2H,(H,10,11)

InChIKey

WMADTZFXZAITIR-UHFFFAOYSA-N

Compound name

2-chloro-5-fluoropyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 666
Patents: 174.98363 Da
Monoisotopic Mass: 1.4
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]+	175.99091	128.3
[M+Na]+	197.97285	141.3
[M+NH4]+	193.01745	135.7
[M+K]+	213.94679	136.0
[M-H]-	173.97635	127.5
[M+Na-2H]-	195.95830	134.4
[M]+	174.98308	130.0
[M]-	174.98418	130.0

Literature stripe

literature stripe

Patent stripe

patents stripe