CID 514909

102830-82-0

Structural Information

Molecular Formula

C₁₄H₈BrCl₂NO

SMILES

C1=CC2=C(N=CC(=C2)Br)OC1C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C14H8BrCl2NO/c15-10-5-9-2-4-13(19-14(9)18-7-10)8-1-3-11(16)12(17)6-8/h1-7,13H

InChIKey

KUQJOQDSCMXOEJ-UHFFFAOYSA-N

Compound name

6-bromo-2-(3,4-dichlorophenyl)-2H-pyrano[2,3-b]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 354.91663 Da
Monoisotopic Mass: 5.2
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]+	355.92391	166.2
[M+Na]+	377.90585	180.8
[M-H]-	353.90935	175.0
[M+NH4]+	372.95045	183.2
[M+K]+	393.87979	167.6
[M+H-H2O]+	337.91389	165.9
[M+HCOO]-	399.91483	175.1
[M+CH3COO]-	413.93048	180.0
[M+Na-2H]-	375.89130	173.6
[M]+	354.91608	188.2
[M]-	354.91718	188.2

Literature stripe

literature stripe

Patent stripe

patents stripe