CID 171007

Bis(phenylmethyl)phenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

516
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

literature stripe

Patent stripe

patents stripe