CID 462691

8-flavone acetic acid

Structural Information

Molecular Formula

C₁₇H₁₄O₄

SMILES

C1C(OC2=C(C=CC=C2C1=O)CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C17H14O4/c18-14-10-15(11-5-2-1-3-6-11)21-17-12(9-16(19)20)7-4-8-13(14)17/h1-8,15H,9-10H2,(H,19,20)

InChIKey

GWSLSAJCBDLLSP-UHFFFAOYSA-N

Compound name

2-(4-oxo-2-phenyl-2,3-dihydrochromen-8-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 282.0892 Da
Monoisotopic Mass: 2.4
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]+	283.096476	161.8
[M+Na]+	305.078418	168.9
[M-H]-	281.081924	168.6
[M+NH4]+	300.123023	176.3
[M+K]+	321.052358	166.0
[M+H-H2O]+	265.086460	154.1
[M+HCOO]-	327.087401	179.8
[M+CH3COO]-	341.103051	198.2
[M+Na-2H]-	303.063866	166.6
[M]+	282.08865142	161.5
[M]-	282.08974858	161.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.