CID 46941478

68160-46-3

Structural Information

Molecular Formula

C₆H₄ClNO₃

SMILES

C1C=C(C(=NC1=O)C(=O)O)Cl

InChI

InChI=1S/C6H4ClNO3/c7-3-1-2-4(9)8-5(3)6(10)11/h1H,2H2,(H,10,11)

InChIKey

FDPANFJCJXVITK-UHFFFAOYSA-N

Compound name

5-chloro-2-oxo-3H-pyridine-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 172.98798 Da
Monoisotopic Mass: 0.6
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]+	173.995256	127.6
[M+Na]+	195.977198	137.7
[M-H]-	171.980704	129.2
[M+NH4]+	191.021803	147.0
[M+K]+	211.951138	134.7
[M+H-H2O]+	155.985240	123.0
[M+HCOO]-	217.986181	144.5
[M+CH3COO]-	232.001831	174.0
[M+Na-2H]-	193.962646	133.1
[M]+	172.98743142	128.6
[M]-	172.98852858	128.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.