CID 10562811

138219-98-4

Structural Information

Molecular Formula

C₁₂H₁₀Cl₂N₂

SMILES

C1=CN=C(C=C1CCl)C2=NC=CC(=C2)CCl

InChI

InChI=1S/C12H10Cl2N2/c13-7-9-1-3-15-11(5-9)12-6-10(8-14)2-4-16-12/h1-6H,7-8H2

InChIKey

VZKSOWFFOHQARA-UHFFFAOYSA-N

Compound name

4-(chloromethyl)-2-[4-(chloromethyl)pyridin-2-yl]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 252.02211 Da
Monoisotopic Mass: 2.3
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]+	253.02939	150.8
[M+Na]+	275.01133	161.2
[M-H]-	251.01483	153.8
[M+NH4]+	270.05593	166.5
[M+K]+	290.98527	154.4
[M+H-H2O]+	235.01937	142.9
[M+HCOO]-	297.02031	163.1
[M+CH3COO]-	311.03596	162.8
[M+Na-2H]-	272.99678	157.3
[M]+	252.02156	153.9
[M]-	252.02266	153.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe