CID 92044

3-[1,1'-biphenyl]-4-yl-3,4-dihydronaphthalen-1(2h)-one

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
2
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 170.6
[M+Na]+ 321.12499 177.3
[M-H]- 297.12849 180.5
[M+NH4]+ 316.16959 186.0
[M+K]+ 337.09893 170.6
[M+H-H2O]+ 281.13303 160.9
[M+HCOO]- 343.13397 190.6
[M+CH3COO]- 357.14962 181.6
[M+Na-2H]- 319.11044 175.4
[M]+ 298.13522 167.1
[M]- 298.13632 167.1
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