CID 23391123

Meoft

Structural Information

Molecular Formula

C₁₉H₁₅FO

SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C19H15FO/c1-21-19-12-8-17(9-13-19)15-4-2-14(3-5-15)16-6-10-18(20)11-7-16/h2-13H,1H3

InChIKey

WCPLZAPJEMSBSP-UHFFFAOYSA-N

Compound name

1-fluoro-4-[4-(4-methoxyphenyl)phenyl]benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 278.1107 Da
Monoisotopic Mass: 5.2
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]+	279.11798	163.3
[M+Na]+	301.09992	171.9
[M-H]-	277.10342	172.0
[M+NH4]+	296.14452	179.1
[M+K]+	317.07386	166.3
[M+H-H2O]+	261.10796	153.6
[M+HCOO]-	323.10890	186.4
[M+CH3COO]-	337.12455	175.6
[M+Na-2H]-	299.08537	168.2
[M]+	278.11015	162.8
[M]-	278.11125	162.8

Literature stripe

literature stripe

Patent stripe

patents stripe