CID 73555825

3,5-dibenzylphenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 164.7
[M+Na]+ 297.12499 171.5
[M-H]- 273.12849 172.9
[M+NH4]+ 292.16959 179.7
[M+K]+ 313.09893 165.1
[M+H-H2O]+ 257.13303 156.0
[M+HCOO]- 319.13397 187.0
[M+CH3COO]- 333.14962 176.2
[M+Na-2H]- 295.11044 170.0
[M]+ 274.13522 163.4
[M]- 274.13632 163.4
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