CID 50852662

2-(4-fluoro-2-iodophenyl)ethan-1-ol

Structural Information

Molecular Formula

SMILES

C1=CC(=C(C=C1F)I)CCO

InChI

InChI=1S/C8H8FIO/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5,11H,3-4H2

InChIKey

GCEOMAYJEHJSBQ-UHFFFAOYSA-N

Compound name

2-(4-fluoro-2-iodophenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 265.9604 Da
Monoisotopic Mass: 2.2
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]+	266.96768	138.9
[M+Na]+	288.94962	140.7
[M-H]-	264.95312	133.4
[M+NH4]+	283.99422	154.5
[M+K]+	304.92356	143.9
[M+H-H2O]+	248.95766	129.4
[M+HCOO]-	310.95860	156.1
[M+CH3COO]-	324.97425	184.4
[M+Na-2H]-	286.93507	132.5
[M]+	265.95985	135.2
[M]-	265.96095	135.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.