CID 85570396

3,5-dichlorothiophene-2-sulfonyl chloride

Structural Information

Molecular Formula
C4HCl3O2S2
SMILES
C1=C(SC(=C1Cl)S(=O)(=O)Cl)Cl
InChI
InChI=1S/C4HCl3O2S2/c5-2-1-3(6)10-4(2)11(7,8)9/h1H
InChIKey
HTZCYIZVUGIIAW-UHFFFAOYSA-N
Compound name
3,5-dichlorothiophene-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

249.84836 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.855636 145.5
[M+Na]+ 272.837578 157.6
[M-H]- 248.841084 149.6
[M+NH4]+ 267.882183 166.6
[M+K]+ 288.811518 151.8
[M+H-H2O]+ 232.845620 144.3
[M+HCOO]- 294.846561 145.8
[M+CH3COO]- 308.862211 184.5
[M+Na-2H]- 270.823026 145.1
[M]+ 249.84781142 150.7
[M]- 249.84890858 150.7
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