CID 22248598

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

Structural Information

Molecular Formula

C₇H₇Cl₂NO

SMILES

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

InChI

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

InChIKey

FUIXVOHMCCYFNC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 190.99046 Da
Monoisotopic Mass: 2.2
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]+	191.99774	132.4
[M+Na]+	213.97968	143.5
[M-H]-	189.98318	134.4
[M+NH4]+	209.02428	152.4
[M+K]+	229.95362	139.2
[M+H-H2O]+	173.98772	127.8
[M+HCOO]-	235.98866	146.7
[M+CH3COO]-	250.00431	180.9
[M+Na-2H]-	211.96513	139.1
[M]+	190.98991	137.0
[M]-	190.99101	137.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe