CID 2737345

188534-09-0

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C12H8FIO/c13-9-4-6-11(7-5-9)15-12-3-1-2-10(14)8-12/h1-8H

InChIKey

JMULVRBKALQNIW-UHFFFAOYSA-N

Compound name

1-fluoro-4-(3-iodophenoxy)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 313.9604 Da
Monoisotopic Mass: 4.2
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]+	314.96768	149.1
[M+Na]+	336.94962	151.0
[M-H]-	312.95312	147.5
[M+NH4]+	331.99422	163.1
[M+K]+	352.92356	153.3
[M+H-H2O]+	296.95766	137.7
[M+HCOO]-	358.95860	167.8
[M+CH3COO]-	372.97425	194.1
[M+Na-2H]-	334.93507	143.8
[M]+	313.95985	146.0
[M]-	313.96095	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe