CID 487970

3',8-biflavone

Structural Information

Molecular Formula
C30H18O4
SMILES
C1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=CC=C3)C4=CC(=CC=C4)C5=CC(=O)C6=CC=CC=C6O5
InChI
InChI=1S/C30H18O4/c31-25-17-29(33-27-15-5-4-12-23(25)27)21-11-6-10-20(16-21)22-13-7-14-24-26(32)18-28(34-30(22)24)19-8-2-1-3-9-19/h1-18H
InChIKey
UWIHHWGZIVRLEH-UHFFFAOYSA-N
Compound name
8-[3-(4-oxochromen-2-yl)phenyl]-2-phenylchromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

17
Patents

442.1205 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.12778 211.2
[M+Na]+ 465.10972 222.2
[M-H]- 441.11322 227.3
[M+NH4]+ 460.15432 218.4
[M+K]+ 481.08366 217.4
[M+H-H2O]+ 425.11776 197.8
[M+HCOO]- 487.11870 231.0
[M+CH3COO]- 501.13435 221.4
[M+Na-2H]- 463.09517 217.3
[M]+ 442.11995 215.4
[M]- 442.12105 215.4
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