CID 136630925

6,7-dehydrobaicalein

Structural Information

Molecular Formula
C15H8O5
SMILES
C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=O)C3=O)O
InChI
InChI=1S/C15H8O5/c16-9-6-11(8-4-2-1-3-5-8)20-12-7-10(17)14(18)15(19)13(9)12/h1-7,17H
InChIKey
JYELYVBLRJBNPV-UHFFFAOYSA-N
Compound name
7-hydroxy-2-phenylchromene-4,5,6-trione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

268.03717 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.044446 153.2
[M+Na]+ 291.026388 164.5
[M-H]- 267.029894 161.7
[M+NH4]+ 286.070993 169.0
[M+K]+ 307.000328 161.6
[M+H-H2O]+ 251.034430 146.0
[M+HCOO]- 313.035371 174.7
[M+CH3COO]- 327.051021 195.2
[M+Na-2H]- 289.011836 160.0
[M]+ 268.03662142 155.9
[M]- 268.03771858 155.9
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

No patent data available for this compound.