CID 19165

3-phenoxytoluene

Structural Information

Molecular Formula

C₁₃H₁₂O

SMILES

CC1=CC(=CC=C1)OC2=CC=CC=C2

InChI

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

InChIKey

UDONPJKEOAWFGI-UHFFFAOYSA-N

Compound name

1-methyl-3-phenoxybenzene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 11
References: 9922
Patents: 184.08882 Da
Monoisotopic Mass: 3.7
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	139.1
[M+Na]+	207.07804	155.4
[M+NH4]+	202.12264	149.6
[M+K]+	223.05198	146.5
[M-H]-	183.08154	145.0
[M+Na-2H]-	205.06349	150.7
[M]+	184.08827	143.4
[M]-	184.08937	143.4

Literature stripe

literature stripe

Patent stripe

patents stripe