CID 2782125

2-chloro-6-methoxyisonicotinoyl chloride

Structural Information

Molecular Formula

C₇H₅Cl₂NO₂

SMILES

COC1=NC(=CC(=C1)C(=O)Cl)Cl

InChI

InChI=1S/C7H5Cl2NO2/c1-12-6-3-4(7(9)11)2-5(8)10-6/h2-3H,1H3

InChIKey

RITCMXVSFUDYGY-UHFFFAOYSA-N

Compound name

2-chloro-6-methoxypyridine-4-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 204.96973 Da
Monoisotopic Mass: 2.6
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]+	205.97701	133.3
[M+Na]+	227.95895	144.5
[M-H]-	203.96245	135.6
[M+NH4]+	223.00355	152.7
[M+K]+	243.93289	140.6
[M+H-H2O]+	187.96699	128.9
[M+HCOO]-	249.96793	147.2
[M+CH3COO]-	263.98358	182.8
[M+Na-2H]-	225.94440	139.0
[M]+	204.96918	138.2
[M]-	204.97028	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe