CID 92045

3-[1,1'-biphenyl]-4-yl-1,2,3,4-tetrahydro-1-naphthol

Structural Information

Molecular Formula
C22H20O
SMILES
C1C(CC2=CC=CC=C2C1O)C3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H20O/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/h1-13,20,22-23H,14-15H2
InChIKey
YZWIKXHPIWMMIG-UHFFFAOYSA-N
Compound name
3-(4-phenylphenyl)-1,2,3,4-tetrahydronaphthalen-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

300.15143 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.15871 171.4
[M+Na]+ 323.14065 177.4
[M-H]- 299.14415 179.9
[M+NH4]+ 318.18525 186.1
[M+K]+ 339.11459 170.4
[M+H-H2O]+ 283.14869 162.1
[M+HCOO]- 345.14963 189.7
[M+CH3COO]- 359.16528 181.7
[M+Na-2H]- 321.12610 175.8
[M]+ 300.15088 166.8
[M]- 300.15198 166.8
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

patents stripe