CID 66545105

1200497-77-3

Structural Information

Molecular Formula

C₉H₈ClNO₄

SMILES

CCOC(=O)C1=CC(=C(N=C1)C(=O)O)Cl

InChI

InChI=1S/C9H8ClNO4/c1-2-15-9(14)5-3-6(10)7(8(12)13)11-4-5/h3-4H,2H2,1H3,(H,12,13)

InChIKey

ZPFBWRGNNLLCMD-UHFFFAOYSA-N

Compound name

3-chloro-5-ethoxycarbonylpyridine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 229.01419 Da
Monoisotopic Mass: 1.6
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]+	230.02147	144.1
[M+Na]+	252.00341	156.4
[M+NH4]+	247.04801	150.4
[M+K]+	267.97735	152.1
[M-H]-	228.00691	143.3
[M+Na-2H]-	249.98886	148.8
[M]+	229.01364	145.7
[M]-	229.01474	145.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe