CID 13732

958-58-7

Structural Information

Molecular Formula

C₁₄H₈BrNO₂

SMILES

C1=CC=NC(=C1)C2=CC3=C(C=CC(=C3)Br)OC2=O

InChI

InChI=1S/C14H8BrNO2/c15-10-4-5-13-9(7-10)8-11(14(17)18-13)12-3-1-2-6-16-12/h1-8H

InChIKey

IDHKCWBINRCURJ-UHFFFAOYSA-N

Compound name

6-bromo-3-pyridin-2-ylchromen-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 300.97385 Da
Monoisotopic Mass: 3.2
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]+	301.98113	153.5
[M+Na]+	323.96307	161.5
[M+NH4]+	319.00767	159.1
[M+K]+	339.93701	159.6
[M-H]-	299.96657	158.0
[M+Na-2H]-	321.94852	160.2
[M]+	300.97330	155.0
[M]-	300.97440	155.0

Literature stripe

literature stripe

Patent stripe

patents stripe