CID 121676

Benzylbiphenylol

Structural Information

Molecular Formula

C₁₉H₁₆O

SMILES

C1=CC=C(C=C1)CC2=C(C(=CC=C2)O)C3=CC=CC=C3

InChI

InChI=1S/C19H16O/c20-18-13-7-12-17(14-15-8-3-1-4-9-15)19(18)16-10-5-2-6-11-16/h1-13,20H,14H2

InChIKey

BMMNUXLWZAHXNL-UHFFFAOYSA-N

Compound name

3-benzyl-2-phenylphenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 64
Patents: 260.12012 Da
Monoisotopic Mass: 5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	261.12740	160.1
[M+Na]+	283.10934	167.3
[M-H]-	259.11284	168.5
[M+NH4]+	278.15394	175.7
[M+K]+	299.08328	161.2
[M+H-H2O]+	243.11738	151.7
[M+HCOO]-	305.11832	182.8
[M+CH3COO]-	319.13397	172.0
[M+Na-2H]-	281.09479	166.0
[M]+	260.11957	158.5
[M]-	260.12067	158.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe