CID 14670266

4-(4-tolyloxy)biphenyl

Structural Information

Molecular Formula

C₁₉H₁₆O

SMILES

CC1=CC=C(C=C1)OC2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C19H16O/c1-15-7-11-18(12-8-15)20-19-13-9-17(10-14-19)16-5-3-2-4-6-16/h2-14H,1H3

InChIKey

JENMQODMHFMXSM-UHFFFAOYSA-N

Compound name

1-methyl-4-(4-phenylphenoxy)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 299
Patents: 260.12012 Da
Monoisotopic Mass: 6.2
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]+	261.12740	160.0
[M+Na]+	283.10934	167.7
[M-H]-	259.11284	169.8
[M+NH4]+	278.15394	176.3
[M+K]+	299.08328	162.5
[M+H-H2O]+	243.11738	151.2
[M+HCOO]-	305.11832	184.2
[M+CH3COO]-	319.13397	172.6
[M+Na-2H]-	281.09479	166.3
[M]+	260.11957	160.2
[M]-	260.12067	160.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe