CID 466294

7-chloroflavonol

Structural Information

Molecular Formula

C₁₅H₉ClO₃

SMILES

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

InChI

InChI=1S/C15H9ClO3/c16-10-6-7-11-12(8-10)19-15(14(18)13(11)17)9-4-2-1-3-5-9/h1-8,18H

InChIKey

DAIAUZNYEIUDCP-UHFFFAOYSA-N

Compound name

7-chloro-3-hydroxy-2-phenylchromen-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 272.02402 Da
Monoisotopic Mass: 4.0
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]+	273.03130	155.5
[M+Na]+	295.01324	167.5
[M-H]-	271.01674	163.6
[M+NH4]+	290.05784	172.2
[M+K]+	310.98718	162.6
[M+H-H2O]+	255.02128	149.2
[M+HCOO]-	317.02222	173.2
[M+CH3COO]-	331.03787	169.2
[M+Na-2H]-	292.99869	163.2
[M]+	272.02347	160.0
[M]-	272.02457	160.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.