CID 11816355

503058-51-3

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: 52
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]+	191.99774	133.2
[M+Na]+	213.97968	148.9
[M+NH4]+	209.02428	142.6
[M+K]+	229.95362	140.9
[M-H]-	189.98318	135.3
[M+Na-2H]-	211.96513	141.3
[M]+	190.98991	136.7
[M]-	190.99101	136.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe