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

1946
References

11653
Patents

270.05283 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.060106 155.9
[M+Na]+ 293.042048 166.7
[M-H]- 269.045554 161.9
[M+NH4]+ 288.086653 170.4
[M+K]+ 309.015988 163.2
[M+H-H2O]+ 253.050090 149.0
[M+HCOO]- 315.051031 175.4
[M+CH3COO]- 329.066681 168.6
[M+Na-2H]- 291.027496 162.6
[M]+ 270.05228142 157.9
[M]- 270.05337858 157.9
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