CID 72279

6-hydroxyflavone

Structural Information

Molecular Formula

C₁₅H₁₀O₃

SMILES

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

InChI

InChI=1S/C15H10O3/c16-11-6-7-14-12(8-11)13(17)9-15(18-14)10-4-2-1-3-5-10/h1-9,16H

InChIKey

GPZYYYGYCRFPBU-UHFFFAOYSA-N

Compound name

6-hydroxy-2-phenylchromen-4-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 66
References: 13085
Patents: 238.06299 Da
Monoisotopic Mass: 3.6
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]+	239.07027	148.7
[M+Na]+	261.05221	159.0
[M-H]-	237.05571	156.7
[M+NH4]+	256.09681	165.6
[M+K]+	277.02615	155.6
[M+H-H2O]+	221.06025	141.5
[M+HCOO]-	283.06119	171.0
[M+CH3COO]-	297.07684	162.4
[M+Na-2H]-	259.03766	157.6
[M]+	238.06244	150.4
[M]-	238.06354	150.4

Literature stripe

literature stripe

Patent stripe

patents stripe