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

14
Patents

249.84836 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.85564 145.5
[M+Na]+ 272.83758 157.6
[M-H]- 248.84108 149.6
[M+NH4]+ 267.88218 166.6
[M+K]+ 288.81152 151.8
[M+H-H2O]+ 232.84562 144.3
[M+HCOO]- 294.84656 145.8
[M+CH3COO]- 308.86221 184.5
[M+Na-2H]- 270.82303 145.1
[M]+ 249.84781 150.7
[M]- 249.84891 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