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]+ 269.04445 153.2
[M+Na]+ 291.02639 164.5
[M-H]- 267.02989 161.7
[M+NH4]+ 286.07099 169.0
[M+K]+ 307.00033 161.6
[M+H-H2O]+ 251.03443 146.0
[M+HCOO]- 313.03537 174.7
[M+CH3COO]- 327.05102 195.2
[M+Na-2H]- 289.01184 160.0
[M]+ 268.03662 155.9
[M]- 268.03772 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.