CID 44620892

1355026-47-9

Structural Information

Molecular Formula

C₁₃H₉Br₂Cl₂NO₂

SMILES

C1=CC(=C(C=C1Cl)Cl)OCCOC2=C(N=C(C=C2)Br)Br

InChI

InChI=1S/C13H9Br2Cl2NO2/c14-12-4-3-11(13(15)18-12)20-6-5-19-10-2-1-8(16)7-9(10)17/h1-4,7H,5-6H2

InChIKey

KMGUBUXDNOMSRM-UHFFFAOYSA-N

Compound name

2,6-dibromo-3-[2-(2,4-dichlorophenoxy)ethoxy]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 438.8377 Da
Monoisotopic Mass: 5.8
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]+	439.84498	161.7
[M+Na]+	461.82692	174.9
[M-H]-	437.83042	169.6
[M+NH4]+	456.87152	177.0
[M+K]+	477.80086	157.5
[M+H-H2O]+	421.83496	169.7
[M+HCOO]-	483.83590	170.0
[M+CH3COO]-	497.85155	220.0
[M+Na-2H]-	459.81237	167.6
[M]+	438.83715	200.4
[M]-	438.83825	200.4

Literature stripe

literature stripe

Patent stripe

patents stripe