CID 15158616

1-benzothiophene-7-sulfonyl chloride

Structural Information

Molecular Formula
C8H5ClO2S2
SMILES
C1=CC2=C(C(=C1)S(=O)(=O)Cl)SC=C2
InChI
InChI=1S/C8H5ClO2S2/c9-13(10,11)7-3-1-2-6-4-5-12-8(6)7/h1-5H
InChIKey
JOJNZADZIIGUJY-UHFFFAOYSA-N
Compound name
1-benzothiophene-7-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.94196 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.94924 146.2
[M+Na]+ 254.93118 159.7
[M+NH4]+ 249.97578 156.3
[M+K]+ 270.90512 150.5
[M-H]- 230.93468 148.3
[M+Na-2H]- 252.91663 152.0
[M]+ 231.94141 150.1
[M]- 231.94251 150.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.