CID 157010141

5,7-dihydroxy-3-(6-hydroxy-1,3-benzodioxol-5-yl)chromen-4-one

Structural Information

Molecular Formula
C16H10O7
SMILES
C1OC2=C(O1)C=C(C(=C2)C3=COC4=CC(=CC(=C4C3=O)O)O)O
InChI
InChI=1S/C16H10O7/c17-7-1-11(19)15-14(2-7)21-5-9(16(15)20)8-3-12-13(4-10(8)18)23-6-22-12/h1-5,17-19H,6H2
InChIKey
SITYJJILFBZEKU-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-3-(6-hydroxy-1,3-benzodioxol-5-yl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

314.04266 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.04994 164.8
[M+Na]+ 337.03188 176.1
[M-H]- 313.03538 173.4
[M+NH4]+ 332.07648 177.6
[M+K]+ 353.00582 175.4
[M+H-H2O]+ 297.03992 159.1
[M+HCOO]- 359.04086 181.3
[M+CH3COO]- 373.05651 177.5
[M+Na-2H]- 335.01733 171.1
[M]+ 314.04211 170.1
[M]- 314.04321 170.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.