CID 155971071

3-chloro-2-(difluoromethyl)-5-iodothiophene

Structural Information

Molecular Formula

C₅H₂ClF₂IS

SMILES

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

InChI

InChI=1S/C5H2ClF2IS/c6-2-1-3(9)10-4(2)5(7)8/h1,5H

InChIKey

URTNRDAGEKSFPZ-UHFFFAOYSA-N

Compound name

3-chloro-2-(difluoromethyl)-5-iodothiophene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 293.85785 Da
Monoisotopic Mass: 3.6
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]+	294.86513	132.7
[M+Na]+	316.84707	137.0
[M-H]-	292.85057	128.1
[M+NH4]+	311.89167	151.1
[M+K]+	332.82101	138.9
[M+H-H2O]+	276.85511	124.0
[M+HCOO]-	338.85605	141.7
[M+CH3COO]-	352.87170	187.3
[M+Na-2H]-	314.83252	121.6
[M]+	293.85730	131.6
[M]-	293.85840	131.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.