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: 693
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]+	175.990906	126.3
[M+Na]+	197.972848	137.3
[M-H]-	173.976354	126.8
[M+NH4]+	193.017453	145.7
[M+K]+	213.946788	133.6
[M+H-H2O]+	157.980890	120.8
[M+HCOO]-	219.981831	143.2
[M+CH3COO]-	233.997481	175.1
[M+Na-2H]-	195.958296	132.2
[M]+	174.98308142	127.0
[M]-	174.98417858	127.0

Literature stripe

literature stripe

Patent stripe

patents stripe