CID 58713179

6-chloro-3-methyl-1-benzothiophene-2-sulfonyl chloride

Structural Information

Molecular Formula
C9H6Cl2O2S2
SMILES
CC1=C(SC2=C1C=CC(=C2)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C9H6Cl2O2S2/c1-5-7-3-2-6(10)4-8(7)14-9(5)15(11,12)13/h2-4H,1H3
InChIKey
DYRASNHESMAQAI-UHFFFAOYSA-N
Compound name
6-chloro-3-methyl-1-benzothiophene-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

279.91864 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.92592 160.3
[M+Na]+ 302.90786 174.6
[M+NH4]+ 297.95246 170.1
[M+K]+ 318.88180 164.7
[M-H]- 278.91136 162.2
[M+Na-2H]- 300.89331 165.1
[M]+ 279.91809 164.5
[M]- 279.91919 164.5
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

patents stripe