CID 514889

99902-96-2

Structural Information

Molecular Formula

C₁₁H₆BrCl₂NO

SMILES

C1=CC(=C(C=C1OC2=NC=C(C=C2)Br)Cl)Cl

InChI

InChI=1S/C11H6BrCl2NO/c12-7-1-4-11(15-6-7)16-8-2-3-9(13)10(14)5-8/h1-6H

InChIKey

YAHPNYGXDBHDRK-UHFFFAOYSA-N

Compound name

5-bromo-2-(3,4-dichlorophenoxy)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 21
Patents: 316.90097 Da
Monoisotopic Mass: 4.7
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]+	317.90825	151.6
[M+Na]+	339.89019	166.5
[M-H]-	315.89369	159.4
[M+NH4]+	334.93479	170.4
[M+K]+	355.86413	152.5
[M+H-H2O]+	299.89823	151.9
[M+HCOO]-	361.89917	164.1
[M+CH3COO]-	375.91482	166.6
[M+Na-2H]-	337.87564	159.3
[M]+	316.90042	174.2
[M]-	316.90152	174.2

Literature stripe

literature stripe

Patent stripe

patents stripe