CID 137966043

4-chloro-5-iodothiophene-2-sulfonyl chloride

Structural Information

Molecular Formula
C4HCl2IO2S2
SMILES
C1=C(SC(=C1Cl)I)S(=O)(=O)Cl
InChI
InChI=1S/C4HCl2IO2S2/c5-2-1-3(10-4(2)7)11(6,8)9/h1H
InChIKey
CUFANGVDDNEGEP-UHFFFAOYSA-N
Compound name
4-chloro-5-iodothiophene-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.78397 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.79125 148.9
[M+Na]+ 364.77319 154.3
[M-H]- 340.77669 147.1
[M+NH4]+ 359.81779 166.0
[M+K]+ 380.74713 154.5
[M+H-H2O]+ 324.78123 143.3
[M+HCOO]- 386.78217 150.4
[M+CH3COO]- 400.79782 189.9
[M+Na-2H]- 362.75864 138.3
[M]+ 341.78342 152.0
[M]- 341.78452 152.0
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.