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]+ 294.91488 154.6
[M+Na]+ 316.89682 166.8
[M-H]- 292.90032 159.0
[M+NH4]+ 311.94142 176.8
[M+K]+ 332.87076 160.1
[M+H-H2O]+ 276.90486 153.4
[M+HCOO]- 338.90580 158.5
[M+CH3COO]- 352.92145 193.7
[M+Na-2H]- 314.88227 155.8
[M]+ 293.90705 160.4
[M]- 293.90815 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.