CID 106566

Dibenzylphenol

Structural Information

Molecular Formula
C20H18O
SMILES
C1=CC=C(C=C1)CC2=CC(=C(C=C2)O)CC3=CC=CC=C3
InChI
InChI=1S/C20H18O/c21-20-12-11-18(13-16-7-3-1-4-8-16)15-19(20)14-17-9-5-2-6-10-17/h1-12,15,21H,13-14H2
InChIKey
YZKPJAZHLHPYBZ-UHFFFAOYSA-N
Compound name
2,4-dibenzylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

274.13577 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.14305 166.7
[M+Na]+ 297.12499 184.2
[M+NH4]+ 292.16959 176.7
[M+K]+ 313.09893 173.6
[M-H]- 273.12849 174.7
[M+Na-2H]- 295.11044 179.5
[M]+ 274.13522 171.8
[M]- 274.13632 171.8
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

patents stripe