CID 92044

56181-65-8

Structural Information

Molecular Formula
C22H18O
SMILES
C1C(CC(=O)C2=CC=CC=C21)C3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H18O/c23-22-15-20(14-19-8-4-5-9-21(19)22)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-13,20H,14-15H2
InChIKey
AFIAHUCZUURHQW-UHFFFAOYSA-N
Compound name
3-(4-phenylphenyl)-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

298.13577 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.14305 171.9
[M+Na]+ 321.12499 190.1
[M+NH4]+ 316.16959 182.8
[M+K]+ 337.09893 178.7
[M-H]- 297.12849 180.9
[M+Na-2H]- 319.11044 184.0
[M]+ 298.13522 177.5
[M]- 298.13632 177.5
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

patents stripe