CID 129958409

408536-01-6

Structural Information

Molecular Formula

C₇H₅Cl₂NO₃

SMILES

COC1=C(N=C(C=C1Cl)C(=O)O)Cl

InChI

InChI=1S/C7H5Cl2NO3/c1-13-5-3(8)2-4(7(11)12)10-6(5)9/h2H,1H3,(H,11,12)

InChIKey

IFGYWGRDUWYAOI-UHFFFAOYSA-N

Compound name

4,6-dichloro-5-methoxypyridine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 220.96465 Da
Monoisotopic Mass: 2.3
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]+	221.971926	135.6
[M+Na]+	243.953868	147.2
[M-H]-	219.957374	137.1
[M+NH4]+	238.998473	153.9
[M+K]+	259.927808	143.0
[M+H-H2O]+	203.961910	131.7
[M+HCOO]-	265.962851	148.4
[M+CH3COO]-	279.978501	183.5
[M+Na-2H]-	241.939316	140.3
[M]+	220.96410142	140.5
[M]-	220.96519858	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe