CID 12016858

Bpkae

Structural Information

Molecular Formula
C22H14O6
SMILES
C1=CC=C(C=C1)C(=O)C2=CC=CC(=C2)C3=C(C(=O)C4=C(C=C(C=C4O3)O)O)O
InChI
InChI=1S/C22H14O6/c23-15-10-16(24)18-17(11-15)28-22(21(27)20(18)26)14-8-4-7-13(9-14)19(25)12-5-2-1-3-6-12/h1-11,23-24,27H
InChIKey
ZSVFHCCTKLLREN-UHFFFAOYSA-N
Compound name
2-(3-benzoylphenyl)-3,5,7-trihydroxychromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.07904 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.08632 185.4
[M+Na]+ 397.06826 194.5
[M-H]- 373.07176 194.1
[M+NH4]+ 392.11286 194.6
[M+K]+ 413.04220 190.6
[M+H-H2O]+ 357.07630 176.1
[M+HCOO]- 419.07724 202.7
[M+CH3COO]- 433.09289 195.7
[M+Na-2H]- 395.05371 188.7
[M]+ 374.07849 187.3
[M]- 374.07959 187.3
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

No patent data available for this compound.