CID 5281605

Baicalein

Structural Information

Molecular Formula

C₁₅H₁₀O₅

SMILES

C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)O)O

InChI

InChI=1S/C15H10O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17-19H

InChIKey

FXNFHKRTJBSTCS-UHFFFAOYSA-N

Compound name

5,6,7-trihydroxy-2-phenylchromen-4-one

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 1938
References: 11400
Patents: 270.05283 Da
Monoisotopic Mass: 1.7
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]+	271.06011	155.9
[M+Na]+	293.04205	166.7
[M-H]-	269.04555	161.9
[M+NH4]+	288.08665	170.4
[M+K]+	309.01599	163.2
[M+H-H2O]+	253.05009	149.0
[M+HCOO]-	315.05103	175.4
[M+CH3COO]-	329.06668	168.6
[M+Na-2H]-	291.02750	162.6
[M]+	270.05228	157.9
[M]-	270.05338	157.9

Literature stripe

literature stripe

Patent stripe

patents stripe