CID 257971

3-methoxybiphenyl

Structural Information

Molecular Formula

C₁₃H₁₂O

SMILES

COC1=CC=CC(=C1)C2=CC=CC=C2

InChI

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

InChIKey

KQMIWCAOEFUBQK-UHFFFAOYSA-N

Compound name

1-methoxy-3-phenylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 756
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	139.1
[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