CID 283227

2,6-diphenyl-4h-pyran-4-one

Structural Information

Molecular Formula
C17H12O2
SMILES
C1=CC=C(C=C1)C2=CC(=O)C=C(O2)C3=CC=CC=C3
InChI
InChI=1S/C17H12O2/c18-15-11-16(13-7-3-1-4-8-13)19-17(12-15)14-9-5-2-6-10-14/h1-12H
InChIKey
UWCKXOXEYVSRSD-UHFFFAOYSA-N
Compound name
2,6-diphenylpyran-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

248.08372 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.090996 153.9
[M+Na]+ 271.072938 162.9
[M-H]- 247.076444 164.8
[M+NH4]+ 266.117543 169.4
[M+K]+ 287.046878 159.3
[M+H-H2O]+ 231.080980 145.5
[M+HCOO]- 293.081921 178.3
[M+CH3COO]- 307.097571 167.5
[M+Na-2H]- 269.058386 162.1
[M]+ 248.08317142 154.8
[M]- 248.08426858 154.8
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

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