CID 2777517

2367-02-4

Structural Information

Molecular Formula

C₁₃H₉F₃O

SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C13H9F3O/c14-13(15,16)10-6-8-12(9-7-10)17-11-4-2-1-3-5-11/h1-9H

InChIKey

UZJUDUZMPNCXPF-UHFFFAOYSA-N

Compound name

1-phenoxy-4-(trifluoromethyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 282
Patents: 238.06055 Da
Monoisotopic Mass: 4.3
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]+	239.06783	147.7
[M+Na]+	261.04977	156.4
[M-H]-	237.05327	150.7
[M+NH4]+	256.09437	165.2
[M+K]+	277.02371	152.3
[M+H-H2O]+	221.05781	138.2
[M+HCOO]-	283.05875	167.8
[M+CH3COO]-	297.07440	190.2
[M+Na-2H]-	259.03522	154.4
[M]+	238.06000	144.3
[M]-	238.06110	144.3

Literature stripe

literature stripe

Patent stripe

patents stripe