CID 1382789

26191-64-0

Structural Information

Molecular Formula

C₁₃H₁₂O

SMILES

CC1=CC=C(C=C1)C2=CC=C(C=C2)O

InChI

InChI=1S/C13H12O/c1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12/h2-9,14H,1H3

InChIKey

DDZACMDGXVXOOH-UHFFFAOYSA-N

Compound name

4-(4-methylphenyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 820
Patents: 184.08882 Da
Monoisotopic Mass: 3.6
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]+	185.09610	139.3
[M+Na]+	207.07804	155.3
[M+NH4]+	202.12264	149.3
[M+K]+	223.05198	147.0
[M-H]-	183.08154	144.7
[M+Na-2H]-	205.06349	150.0
[M]+	184.08827	143.3
[M]-	184.08937	143.3

Literature stripe

literature stripe

Patent stripe

patents stripe