CID 71271270

1425842-80-3

Structural Information

Molecular Formula

C₈H₈ClNO₃

SMILES

CCOC1=CC(=C(N=C1)C(=O)O)Cl

InChI

InChI=1S/C8H8ClNO3/c1-2-13-5-3-6(9)7(8(11)12)10-4-5/h3-4H,2H2,1H3,(H,11,12)

InChIKey

CQOUFNVFLFOCSP-UHFFFAOYSA-N

Compound name

3-chloro-5-ethoxypyridine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 201.01927 Da
Monoisotopic Mass: 1.7
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]+	202.02655	136.3
[M+Na]+	224.00849	146.3
[M-H]-	200.01199	137.9
[M+NH4]+	219.05309	154.7
[M+K]+	239.98243	143.2
[M+H-H2O]+	184.01653	131.2
[M+HCOO]-	246.01747	153.8
[M+CH3COO]-	260.03312	180.5
[M+Na-2H]-	221.99394	141.7
[M]+	201.01872	140.3
[M]-	201.01982	140.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe