CID 466274

8-chloroflavone

Structural Information

Molecular Formula

C₁₅H₉ClO₂

SMILES

C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=CC=C3)Cl

InChI

InChI=1S/C15H9ClO2/c16-12-8-4-7-11-13(17)9-14(18-15(11)12)10-5-2-1-3-6-10/h1-9H

InChIKey

LYCLFRBHWQNOOR-UHFFFAOYSA-N

Compound name

8-chloro-2-phenylchromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 256.0291 Da
Monoisotopic Mass: 4.2
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]+	257.03638	152.3
[M+Na]+	279.01832	163.9
[M-H]-	255.02182	161.3
[M+NH4]+	274.06292	170.1
[M+K]+	294.99226	159.1
[M+H-H2O]+	239.02636	145.6
[M+HCOO]-	301.02730	171.2
[M+CH3COO]-	315.04295	166.4
[M+Na-2H]-	277.00377	161.0
[M]+	256.02855	156.7
[M]-	256.02965	156.7

Literature stripe

literature stripe

Patent stripe

patents stripe