CID 165803981

3,5-dichloro-2-iodothiophene

Structural Information

Molecular Formula

SMILES

C1=C(SC(=C1Cl)I)Cl

InChI

InChI=1S/C4HCl2IS/c5-2-1-3(6)8-4(2)7/h1H

InChIKey

INFLHEUKUIDXJK-UHFFFAOYSA-N

Compound name

3,5-dichloro-2-iodothiophene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 277.82208 Da
Monoisotopic Mass: 3.9
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]+	278.82936	131.5
[M+Na]+	300.81130	136.7
[M-H]-	276.81480	129.1
[M+NH4]+	295.85590	150.9
[M+K]+	316.78524	137.8
[M+H-H2O]+	260.81934	125.5
[M+HCOO]-	322.82028	138.8
[M+CH3COO]-	336.83593	183.2
[M+Na-2H]-	298.79675	122.2
[M]+	277.82153	133.2
[M]-	277.82263	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.