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]+ 232.949236 144.9
[M+Na]+ 254.931178 158.1
[M-H]- 230.934684 151.0
[M+NH4]+ 249.975783 167.8
[M+K]+ 270.905118 152.5
[M+H-H2O]+ 214.939220 141.9
[M+HCOO]- 276.940161 156.0
[M+CH3COO]- 290.955811 181.9
[M+Na-2H]- 252.916626 149.4
[M]+ 231.94141142 152.1
[M]- 231.94250858 152.1
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.