CID 5384605

5150-31-2

Structural Information

Molecular Formula
C17H12O7
SMILES
COC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C17H12O7/c1-21-17-15(20)14-10(19)5-9(18)6-13(14)24-16(17)8-2-3-11-12(4-8)23-7-22-11/h2-6,18-19H,7H2,1H3
InChIKey
BWGOSISPGLXOML-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-yl)-5,7-dihydroxy-3-methoxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.0583 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.06558 169.2
[M+Na]+ 351.04752 180.5
[M-H]- 327.05102 178.9
[M+NH4]+ 346.09212 182.1
[M+K]+ 367.02146 180.4
[M+H-H2O]+ 311.05556 163.1
[M+HCOO]- 373.05650 186.8
[M+CH3COO]- 387.07215 182.1
[M+Na-2H]- 349.03297 175.3
[M]+ 328.05775 176.5
[M]- 328.05885 176.5
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.