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 154.8
[M+Na]+ 302.90786 168.9
[M-H]- 278.91136 160.8
[M+NH4]+ 297.95246 176.6
[M+K]+ 318.88180 162.2
[M+H-H2O]+ 262.91590 152.9
[M+HCOO]- 324.91684 160.4
[M+CH3COO]- 338.93249 191.6
[M+Na-2H]- 300.89331 157.0
[M]+ 279.91809 163.7
[M]- 279.91919 163.7
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