CID 6424577

2-[1,1'-biphenyl]-4-yl-1-ethanol

Structural Information

Molecular Formula

C₁₄H₁₄O

SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)CCO

InChI

InChI=1S/C14H14O/c15-11-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9,15H,10-11H2

InChIKey

CLGLKAAXNFFWON-UHFFFAOYSA-N

Compound name

2-(4-phenylphenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 203
Patents: 198.10446 Da
Monoisotopic Mass: 3.0
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]+	199.111736	143.1
[M+Na]+	221.093678	150.3
[M-H]-	197.097184	148.5
[M+NH4]+	216.138283	161.6
[M+K]+	237.067618	146.0
[M+H-H2O]+	181.101720	136.3
[M+HCOO]-	243.102661	166.3
[M+CH3COO]-	257.118311	182.6
[M+Na-2H]-	219.079126	150.1
[M]+	198.10391142	142.1
[M]-	198.10500858	142.1

Literature stripe

literature stripe

Patent stripe

patents stripe