CID 514908

102830-81-9

Structural Information

Molecular Formula

C₁₄H₁₀BrNO

SMILES

C1=CC=C(C=C1)C2C=CC3=C(O2)N=CC(=C3)Br

InChI

InChI=1S/C14H10BrNO/c15-12-8-11-6-7-13(17-14(11)16-9-12)10-4-2-1-3-5-10/h1-9,13H

InChIKey

HAWPOVRQHFBASB-UHFFFAOYSA-N

Compound name

6-bromo-2-phenyl-2H-pyrano[2,3-b]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 286.99457 Da
Monoisotopic Mass: 3.9
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]+	288.00185	156.4
[M+Na]+	309.98379	167.9
[M-H]-	285.98729	165.6
[M+NH4]+	305.02839	174.1
[M+K]+	325.95773	157.3
[M+H-H2O]+	269.99183	155.1
[M+HCOO]-	331.99277	174.8
[M+CH3COO]-	346.00842	170.6
[M+Na-2H]-	307.96924	166.2
[M]+	286.99402	174.7
[M]-	286.99512	174.7

Literature stripe

literature stripe

Patent stripe

patents stripe