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
1
Annotation Hits

8
References

4
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 161.7
[M+Na]+ 313.06826 174.8
[M+NH4]+ 308.11286 170.0
[M+K]+ 329.04220 168.4
[M-H]- 289.07176 163.8
[M+Na-2H]- 311.05371 165.3
[M]+ 290.07849 164.3
[M]- 290.07959 164.3
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