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
7
Annotation Hits

1919
References

10135
Patents

270.05283 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.06011 156.8
[M+Na]+ 293.04205 172.8
[M+NH4]+ 288.08665 164.3
[M+K]+ 309.01599 167.0
[M-H]- 269.04555 161.5
[M+Na-2H]- 291.02750 163.9
[M]+ 270.05228 160.5
[M]- 270.05338 160.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe