CID 21354187

3,5-dichloro-2-methoxypyridine

Structural Information

Molecular Formula

C₆H₅Cl₂NO

SMILES

COC1=C(C=C(C=N1)Cl)Cl

InChI

InChI=1S/C6H5Cl2NO/c1-10-6-5(8)2-4(7)3-9-6/h2-3H,1H3

InChIKey

XMASGFYUZZRWOE-UHFFFAOYSA-N

Compound name

3,5-dichloro-2-methoxypyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 101
Patents: 176.97482 Da
Monoisotopic Mass: 2.4
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]+	177.98210	128.6
[M+Na]+	199.96404	144.5
[M+NH4]+	195.00864	138.2
[M+K]+	215.93798	136.8
[M-H]-	175.96754	130.8
[M+Na-2H]-	197.94949	137.0
[M]+	176.97427	132.2
[M]-	176.97537	132.2

Literature stripe

literature stripe

Patent stripe

patents stripe