CID 2736094

2,5-dichlorothiophene-3-sulfonyl chloride

Structural Information

Molecular Formula
C4HCl3O2S2
SMILES
C1=C(SC(=C1S(=O)(=O)Cl)Cl)Cl
InChI
InChI=1S/C4HCl3O2S2/c5-3-1-2(4(6)10-3)11(7,8)9/h1H
InChIKey
JJKSHSHZJOWSEC-UHFFFAOYSA-N
Compound name
2,5-dichlorothiophene-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

764
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

literature stripe

Patent stripe

patents stripe