CID 79222

6-chloronicotinic acid

Structural Information

Molecular Formula

C₆H₄ClNO₂

SMILES

C1=CC(=NC=C1C(=O)O)Cl

InChI

InChI=1S/C6H4ClNO2/c7-5-2-1-4(3-8-5)6(9)10/h1-3H,(H,9,10)

InChIKey

UAWMVMPAYRWUFX-UHFFFAOYSA-N

Compound name

6-chloropyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 58
References: 4779
Patents: 156.99306 Da
Monoisotopic Mass: 2.7
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]+	158.00034	124.8
[M+Na]+	179.98228	134.8
[M-H]-	155.98578	126.3
[M+NH4]+	175.02688	144.7
[M+K]+	195.95622	131.6
[M+H-H2O]+	139.99032	120.0
[M+HCOO]-	201.99126	142.7
[M+CH3COO]-	216.00691	171.2
[M+Na-2H]-	177.96773	132.0
[M]+	156.99251	126.1
[M]-	156.99361	126.1

Literature stripe

literature stripe

Patent stripe

patents stripe