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

4
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

literature stripe

Patent stripe

patents stripe