CID 5068963

2-bromo-9-xanthenone

Structural Information

Molecular Formula

C₁₃H₇BrO₂

SMILES

C1=CC=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)Br

InChI

InChI=1S/C13H7BrO2/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-7H

InChIKey

DYQUGFRRGGOYCA-UHFFFAOYSA-N

Compound name

2-bromoxanthen-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 125
Patents: 273.96295 Da
Monoisotopic Mass: 4.3
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]+	274.970226	148.7
[M+Na]+	296.952168	163.5
[M-H]-	272.955674	158.4
[M+NH4]+	291.996773	169.8
[M+K]+	312.926108	153.1
[M+H-H2O]+	256.960210	148.8
[M+HCOO]-	318.961151	170.1
[M+CH3COO]-	332.976801	165.0
[M+Na-2H]-	294.937616	160.9
[M]+	273.96240142	171.1
[M]-	273.96349858	171.1

Literature stripe

literature stripe

Patent stripe

patents stripe