CID 46911832

2-fluoro-5-iodophenol

Structural Information

Molecular Formula

SMILES

C1=CC(=C(C=C1I)O)F

InChI

InChI=1S/C6H4FIO/c7-5-2-1-4(8)3-6(5)9/h1-3,9H

InChIKey

JDGBFLDXIZQLLT-UHFFFAOYSA-N

Compound name

2-fluoro-5-iodophenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 237.9291 Da
Monoisotopic Mass: 2.3
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]+	238.93638	129.0
[M+Na]+	260.91832	131.6
[M-H]-	236.92182	123.8
[M+NH4]+	255.96292	145.7
[M+K]+	276.89226	135.3
[M+H-H2O]+	220.92636	119.9
[M+HCOO]-	282.92730	146.8
[M+CH3COO]-	296.94295	178.6
[M+Na-2H]-	258.90377	123.8
[M]+	237.92855	124.6
[M]-	237.92965	124.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe