CID 216328

Fonsecin

Structural Information

Molecular Formula
C15H14O6
SMILES
CC1(CC(=O)C2=C(C3=C(C=C(C=C3C=C2O1)O)OC)O)O
InChI
InChI=1S/C15H14O6/c1-15(19)6-9(17)13-11(21-15)4-7-3-8(16)5-10(20-2)12(7)14(13)18/h3-5,16,18-19H,6H2,1-2H3
InChIKey
FKCYENFBFZUSDP-UHFFFAOYSA-N
Compound name
2,5,8-trihydroxy-6-methoxy-2-methyl-3H-benzo[g]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

3
Patents

290.07904 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.08632 160.8
[M+Na]+ 313.06826 171.3
[M-H]- 289.07176 164.1
[M+NH4]+ 308.11286 177.9
[M+K]+ 329.04220 169.1
[M+H-H2O]+ 273.07630 155.2
[M+HCOO]- 335.07724 175.7
[M+CH3COO]- 349.09289 197.6
[M+Na-2H]- 311.05371 167.3
[M]+ 290.07849 163.7
[M]- 290.07959 163.7
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.