CID 105492032

Schembl23531699

Structural Information

Molecular Formula

C₅H₃ClF₂O₂S₂

SMILES

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

InChI

InChI=1S/C5H3ClF2O2S2/c6-12(9,10)4-2-1-3(11-4)5(7)8/h1-2,5H

InChIKey

DYNLBUWDXKUTEJ-UHFFFAOYSA-N

Compound name

5-(difluoromethyl)thiophene-2-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 231.92311 Da
Monoisotopic Mass: 2.6
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]+	232.93039	138.3
[M+Na]+	254.91233	149.5
[M-H]-	230.91583	140.4
[M+NH4]+	249.95693	159.6
[M+K]+	270.88627	144.7
[M+H-H2O]+	214.92037	133.3
[M+HCOO]-	276.92131	145.6
[M+CH3COO]-	290.93696	182.1
[M+Na-2H]-	252.89778	138.2
[M]+	231.92256	141.0
[M]-	231.92366	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe