CID 215892

36701-91-4

Structural Information

Molecular Formula

C₁₂H₇Cl₂NO₃

SMILES

C1=CC(=C(N=C1)OC2=C(C=C(C=C2)Cl)Cl)C(=O)O

InChI

InChI=1S/C12H7Cl2NO3/c13-7-3-4-10(9(14)6-7)18-11-8(12(16)17)2-1-5-15-11/h1-6H,(H,16,17)

InChIKey

OEDCZDYPFJEWIH-UHFFFAOYSA-N

Compound name

2-(2,4-dichlorophenoxy)pyridine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 10
Patents: 282.9803 Da
Monoisotopic Mass: 3.5
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]+	283.98758	153.3
[M+Na]+	305.96952	164.0
[M-H]-	281.97302	157.4
[M+NH4]+	301.01412	168.6
[M+K]+	321.94346	158.3
[M+H-H2O]+	265.97756	147.2
[M+HCOO]-	327.97850	165.7
[M+CH3COO]-	341.99415	194.1
[M+Na-2H]-	303.95497	157.7
[M]+	282.97975	157.9
[M]-	282.98085	157.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe