CID 736795

17514-66-8

Structural Information

Molecular Formula

C₉H₇ClO₂S

SMILES

CC1=CS(=O)(=O)C2=C1C=C(C=C2)Cl

InChI

InChI=1S/C9H7ClO2S/c1-6-5-13(11,12)9-3-2-7(10)4-8(6)9/h2-5H,1H3

InChIKey

GYZFDGWHPWNEKL-UHFFFAOYSA-N

Compound name

5-chloro-3-methyl-1-benzothiophene 1,1-dioxide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
Patents: 213.98553 Da
Monoisotopic Mass: 1.8
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]+	214.99281	140.0
[M+Na]+	236.97475	154.5
[M+NH4]+	232.01935	151.5
[M+K]+	252.94869	144.9
[M-H]-	212.97825	142.5
[M+Na-2H]-	234.96020	147.4
[M]+	213.98498	143.8
[M]-	213.98608	143.8

Literature stripe

literature stripe

Patent stripe

patents stripe