CID 20575174

3-fluoro-2-iodothiophene

Structural Information

Molecular Formula

SMILES

C1=CSC(=C1F)I

InChI

InChI=1S/C4H2FIS/c5-3-1-2-7-4(3)6/h1-2H

InChIKey

DQVUQUDJDGCUDD-UHFFFAOYSA-N

Compound name

3-fluoro-2-iodothiophene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 227.8906 Da
Monoisotopic Mass: 2.4
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]+	228.897876	123.9
[M+Na]+	250.879818	127.5
[M-H]-	226.883324	120.5
[M+NH4]+	245.924423	143.9
[M+K]+	266.853758	131.5
[M+H-H2O]+	210.887860	115.2
[M+HCOO]-	272.888801	139.4
[M+CH3COO]-	286.904451	176.5
[M+Na-2H]-	248.865266	115.4
[M]+	227.89005142	122.0
[M]-	227.89114858	122.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe