CID 688659

3,6-dihydroxyflavone

Structural Information

Molecular Formula
C15H10O4
SMILES
C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)O)O
InChI
InChI=1S/C15H10O4/c16-10-6-7-12-11(8-10)13(17)14(18)15(19-12)9-4-2-1-3-5-9/h1-8,16,18H
InChIKey
XHLOLFKZCUCROE-UHFFFAOYSA-N
Compound name
3,6-dihydroxy-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

27
References

111
Patents

254.0579 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.065176 152.3
[M+Na]+ 277.047118 162.9
[M-H]- 253.050624 159.3
[M+NH4]+ 272.091723 168.0
[M+K]+ 293.021058 159.4
[M+H-H2O]+ 237.055160 145.3
[M+HCOO]- 299.056101 173.2
[M+CH3COO]- 313.071751 165.6
[M+Na-2H]- 275.032566 160.1
[M]+ 254.05735142 154.2
[M]- 254.05844858 154.2
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