CID 5729690

5-hydroxy-7-methyl-4-phenyl-2h-chromen-2-one

Structural Information

Molecular Formula
C16H12O3
SMILES
CC1=CC(=C2C(=CC(=O)OC2=C1)C3=CC=CC=C3)O
InChI
InChI=1S/C16H12O3/c1-10-7-13(17)16-12(11-5-3-2-4-6-11)9-15(18)19-14(16)8-10/h2-9,17H,1H3
InChIKey
HBTOFWXJINDTMG-UHFFFAOYSA-N
Compound name
5-hydroxy-7-methyl-4-phenylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

252.07864 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.08592 153.6
[M+Na]+ 275.06786 171.3
[M+NH4]+ 270.11246 162.9
[M+K]+ 291.04180 163.3
[M-H]- 251.07136 160.3
[M+Na-2H]- 273.05331 163.0
[M]+ 252.07809 158.3
[M]- 252.07919 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

No patent data available for this compound.