CID 11816355

2-chloromethyl-3-methoxy-4-chloropyridine hydrochloride

Structural Information

Molecular Formula

C₇H₇Cl₂NO

SMILES

COC1=C(C=CN=C1CCl)Cl

InChI

InChI=1S/C7H7Cl2NO/c1-11-7-5(9)2-3-10-6(7)4-8/h2-3H,4H2,1H3

InChIKey

KPQDKAMSAVONFC-UHFFFAOYSA-N

Compound name

4-chloro-2-(chloromethyl)-3-methoxypyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 190.99046 Da
Monoisotopic Mass: 1.9
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]+	191.997736	132.4
[M+Na]+	213.979678	143.5
[M-H]-	189.983184	134.4
[M+NH4]+	209.024283	152.4
[M+K]+	229.953618	139.2
[M+H-H2O]+	173.987720	127.8
[M+HCOO]-	235.988661	146.7
[M+CH3COO]-	250.004311	180.9
[M+Na-2H]-	211.965126	139.1
[M]+	190.98991142	137.0
[M]-	190.99100858	137.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe