CID 198714

121354-90-3

Structural Information

Molecular Formula
C10H5Cl3O2S
SMILES
C1=CC=C2C(=C1)C=C(S2(=O)=O)C(=C(Cl)Cl)Cl
InChI
InChI=1S/C10H5Cl3O2S/c11-9(10(12)13)8-5-6-3-1-2-4-7(6)16(8,14)15/h1-5H
InChIKey
ZWJRBVFEYFBIQP-UHFFFAOYSA-N
Compound name
2-(1,2,2-trichloroethenyl)-1-benzothiophene 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.9076 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.914876 154.6
[M+Na]+ 316.896818 166.8
[M-H]- 292.900324 159.0
[M+NH4]+ 311.941423 176.8
[M+K]+ 332.870758 160.1
[M+H-H2O]+ 276.904860 153.4
[M+HCOO]- 338.905801 158.5
[M+CH3COO]- 352.921451 193.7
[M+Na-2H]- 314.882266 155.8
[M]+ 293.90705142 160.4
[M]- 293.90814858 160.4
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.