CID 138048

3-(benzyloxy)phenol

Structural Information

Molecular Formula

C₁₃H₁₂O₂

SMILES

C1=CC=C(C=C1)COC2=CC=CC(=C2)O

InChI

InChI=1S/C13H12O2/c14-12-7-4-8-13(9-12)15-10-11-5-2-1-3-6-11/h1-9,14H,10H2

InChIKey

FOTVZLOJAIEAOY-UHFFFAOYSA-N

Compound name

3-phenylmethoxyphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1189
Patents: 200.08372 Da
Monoisotopic Mass: 3.4
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]+	201.09100	143.1
[M+Na]+	223.07294	158.3
[M+NH4]+	218.11754	152.5
[M+K]+	239.04688	150.2
[M-H]-	199.07644	147.9
[M+Na-2H]-	221.05839	153.5
[M]+	200.08317	146.8
[M]-	200.08427	146.8

Literature stripe

literature stripe

Patent stripe

patents stripe