CID 54688869

64556-15-6

Structural Information

Molecular Formula
C21H14O3
SMILES
C1=CC=C(C=C1)C2=CC=CC3=C2OC(=O)C(=C3O)C4=CC=CC=C4
InChI
InChI=1S/C21H14O3/c22-19-17-13-7-12-16(14-8-3-1-4-9-14)20(17)24-21(23)18(19)15-10-5-2-6-11-15/h1-13,22H
InChIKey
KHZAWTVDPWVVBY-UHFFFAOYSA-N
Compound name
4-hydroxy-3,8-diphenylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

314.0943 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.10158 172.3
[M+Na]+ 337.08352 182.0
[M-H]- 313.08702 183.0
[M+NH4]+ 332.12812 185.5
[M+K]+ 353.05746 177.0
[M+H-H2O]+ 297.09156 162.9
[M+HCOO]- 359.09250 193.4
[M+CH3COO]- 373.10815 184.3
[M+Na-2H]- 335.06897 179.2
[M]+ 314.09375 173.5
[M]- 314.09485 173.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.