CID 7638

Monobenzone

Structural Information

Molecular Formula

C₁₃H₁₂O₂

SMILES

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

InChI

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

InChIKey

VYQNWZOUAUKGHI-UHFFFAOYSA-N

Compound name

4-phenylmethoxyphenol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 102
References: 45159
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