CID 441965

Frutinone a

Structural Information

Molecular Formula
C16H8O4
SMILES
C1=CC=C2C(=C1)C3=C(C(=O)C4=CC=CC=C4O3)C(=O)O2
InChI
InChI=1S/C16H8O4/c17-14-9-5-1-3-7-11(9)19-15-10-6-2-4-8-12(10)20-16(18)13(14)15/h1-8H
InChIKey
RFWULRHBGYKEEZ-UHFFFAOYSA-N
Compound name
chromeno[4,3-b]chromene-6,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

14
Patents

264.04227 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.04955 151.3
[M+Na]+ 287.03149 165.0
[M-H]- 263.03499 160.8
[M+NH4]+ 282.07609 168.8
[M+K]+ 303.00543 162.8
[M+H-H2O]+ 247.03953 143.6
[M+HCOO]- 309.04047 173.4
[M+CH3COO]- 323.05612 166.2
[M+Na-2H]- 285.01694 164.4
[M]+ 264.04172 158.3
[M]- 264.04282 158.3
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