CID 11943

4-methoxybiphenyl

Structural Information

Molecular Formula

C₁₃H₁₂O

SMILES

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

InChI

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

InChIKey

RHDYQUZYHZWTCI-UHFFFAOYSA-N

Compound name

1-methoxy-4-phenylbenzene

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 9
References: 3989
Patents: 184.08882 Da
Monoisotopic Mass: 4.0
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]+	185.096096	137.9
[M+Na]+	207.078038	146.0
[M-H]-	183.081544	144.9
[M+NH4]+	202.122643	157.7
[M+K]+	223.051978	143.0
[M+H-H2O]+	167.086080	131.1
[M+HCOO]-	229.087021	163.0
[M+CH3COO]-	243.102671	182.3
[M+Na-2H]-	205.063486	146.0
[M]+	184.08827142	138.5
[M]-	184.08936858	138.5

Literature stripe

literature stripe

Patent stripe

patents stripe