CID 44152569

85959-13-3

Structural Information

Molecular Formula

C₁₉H₁₆O

SMILES

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

InChI

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

InChIKey

YQDDPPZDVUUXOW-UHFFFAOYSA-N

Compound name

5-benzyl-2-phenylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
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