CID 21340881

2-chloro-5-methanesulfonylthiophene

Structural Information

Molecular Formula

C₅H₅ClO₂S₂

SMILES

CS(=O)(=O)C1=CC=C(S1)Cl

InChI

InChI=1S/C5H5ClO2S2/c1-10(7,8)5-3-2-4(6)9-5/h2-3H,1H3

InChIKey

QDAMGAJPTWMCGN-UHFFFAOYSA-N

Compound name

2-chloro-5-methylsulfonylthiophene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 195.94196 Da
Monoisotopic Mass: 2.1
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]+	196.94924	140.7
[M+Na]+	218.93118	151.7
[M+NH4]+	213.97578	149.8
[M+K]+	234.90512	144.0
[M-H]-	194.93468	141.5
[M+Na-2H]-	216.91663	144.4
[M]+	195.94141	143.6
[M]-	195.94251	143.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe