CID 21611827

2beta-5,7-trihydroxyflavanone

Structural Information

Molecular Formula

C₁₅H₁₂O₅

SMILES

C1C(=O)C2=C(C=C(C=C2OC1(C3=CC=CC=C3)O)O)O

InChI

InChI=1S/C15H12O5/c16-10-6-11(17)14-12(18)8-15(19,20-13(14)7-10)9-4-2-1-3-5-9/h1-7,16-17,19H,8H2

InChIKey

KRSTWHCNVMDXQW-UHFFFAOYSA-N

Compound name

2,5,7-trihydroxy-2-phenyl-3H-chromen-4-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 32
Patents: 272.06848 Da
Monoisotopic Mass: 2.0
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]+	273.075756	158.1
[M+Na]+	295.057698	167.1
[M-H]-	271.061204	163.3
[M+NH4]+	290.102303	174.1
[M+K]+	311.031638	164.0
[M+H-H2O]+	255.065740	151.6
[M+HCOO]-	317.066681	174.7
[M+CH3COO]-	331.082331	190.6
[M+Na-2H]-	293.043146	164.8
[M]+	272.06793142	157.2
[M]-	272.06902858	157.2

Literature stripe

literature stripe

Patent stripe

patents stripe