CID 11457988

860296-20-4

Structural Information

Molecular Formula

C₆H₃ClFNO₂

SMILES

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

InChI

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

InChIKey

SDRWXOCHMBWAAW-UHFFFAOYSA-N

Compound name

4-chloro-5-fluoropyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 174.98363 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]+	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

No literature data available for this compound.

Patent stripe

patents stripe