CID 57430790

108158-08-3

Structural Information

Molecular Formula

C₄HCl₂FO₂S₂

SMILES

C1=C(SC(=C1S(=O)(=O)F)Cl)Cl

InChI

InChI=1S/C4HCl2FO2S2/c5-3-1-2(4(6)10-3)11(7,8)9/h1H

InChIKey

ABNWXJBSROUHKZ-UHFFFAOYSA-N

Compound name

2,5-dichlorothiophene-3-sulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 233.8779 Da
Monoisotopic Mass: 3.3
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]+	234.88518	138.8
[M+Na]+	256.86712	151.4
[M-H]-	232.87062	142.4
[M+NH4]+	251.91172	160.7
[M+K]+	272.84106	145.7
[M+H-H2O]+	216.87516	135.9
[M+HCOO]-	278.87610	143.3
[M+CH3COO]-	292.89175	181.5
[M+Na-2H]-	254.85257	139.1
[M]+	233.87735	143.5
[M]-	233.87845	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe