CID 265703

3,4-flavandione

Structural Information

Molecular Formula

C₁₅H₁₀O₃

SMILES

C1=CC=C(C=C1)C2C(=O)C(=O)C3=CC=CC=C3O2

InChI

InChI=1S/C15H10O3/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10/h1-9,15H

InChIKey

YTAQZPGBTPDBPW-UHFFFAOYSA-N

Compound name

2-phenylchromene-3,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 2668
Patents: 238.06299 Da
Monoisotopic Mass: 2.7
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]+	239.070266	148.8
[M+Na]+	261.052208	157.8
[M-H]-	237.055714	157.4
[M+NH4]+	256.096813	166.1
[M+K]+	277.026148	155.0
[M+H-H2O]+	221.060250	141.4
[M+HCOO]-	283.061191	169.9
[M+CH3COO]-	297.076841	162.2
[M+Na-2H]-	259.037656	156.3
[M]+	238.06244142	148.8
[M]-	238.06353858	148.8

Literature stripe

literature stripe

Patent stripe

patents stripe