CID 44152009

3-(1,1'-biphenyl)yl-4h-pyran-4-one

Structural Information

Molecular Formula
C17H12O2
SMILES
C1=CC=C(C=C1)C2=CC=CC=C2C3=COC=CC3=O
InChI
InChI=1S/C17H12O2/c18-17-10-11-19-12-16(17)15-9-5-4-8-14(15)13-6-2-1-3-7-13/h1-12H
InChIKey
VPFFEXFYHFIBNR-UHFFFAOYSA-N
Compound name
3-(2-phenylphenyl)pyran-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.