CID 5575368

5,7-dihydroxyflavone 7-benzoate

Structural Information

Molecular Formula
C22H14O5
SMILES
C1=CC=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC(=O)C4=CC=CC=C4)O
InChI
InChI=1S/C22H14O5/c23-17-11-16(26-22(25)15-9-5-2-6-10-15)12-20-21(17)18(24)13-19(27-20)14-7-3-1-4-8-14/h1-13,23H
InChIKey
JVKHRSMNVBDUPH-UHFFFAOYSA-N
Compound name
(5-hydroxy-4-oxo-2-phenylchromen-7-yl) benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

358.08414 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.09142 182.2
[M+Na]+ 381.07336 190.9
[M-H]- 357.07686 192.8
[M+NH4]+ 376.11796 193.1
[M+K]+ 397.04730 187.3
[M+H-H2O]+ 341.08140 172.3
[M+HCOO]- 403.08234 202.4
[M+CH3COO]- 417.09799 193.3
[M+Na-2H]- 379.05881 187.5
[M]+ 358.08359 185.1
[M]- 358.08469 185.1
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