CID 54519030

123926-88-5

Structural Information

Molecular Formula

C₁₅H₁₂O

SMILES

C1=CC=C(C=C1)C#CC2=CC=CC(=C2)CO

InChI

InChI=1S/C15H12O/c16-12-15-8-4-7-14(11-15)10-9-13-5-2-1-3-6-13/h1-8,11,16H,12H2

InChIKey

YOLPZRFRLKMOOQ-UHFFFAOYSA-N

Compound name

[3-(2-phenylethynyl)phenyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 208.08882 Da
Monoisotopic Mass: 3.1
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]+	209.096096	151.4
[M+Na]+	231.078038	161.6
[M-H]-	207.081544	154.5
[M+NH4]+	226.122643	167.4
[M+K]+	247.051978	154.1
[M+H-H2O]+	191.086080	138.8
[M+HCOO]-	253.087021	168.4
[M+CH3COO]-	267.102671	162.1
[M+Na-2H]-	229.063486	156.2
[M]+	208.08827142	144.5
[M]-	208.08936858	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe