CID 13425715

5-iodothiophene-2-sulfonyl chloride

Structural Information

Molecular Formula
C4H2ClIO2S2
SMILES
C1=C(SC(=C1)I)S(=O)(=O)Cl
InChI
InChI=1S/C4H2ClIO2S2/c5-10(7,8)4-2-1-3(6)9-4/h1-2H
InChIKey
ZPSQHBAYQRJYDZ-UHFFFAOYSA-N
Compound name
5-iodothiophene-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

307.82294 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.830216 145.8
[M+Na]+ 330.812158 150.5
[M-H]- 306.815664 143.9
[M+NH4]+ 325.856763 163.5
[M+K]+ 346.786098 151.7
[M+H-H2O]+ 290.820200 139.0
[M+HCOO]- 352.821141 151.9
[M+CH3COO]- 366.836791 184.5
[M+Na-2H]- 328.797606 135.8
[M]+ 307.82239142 147.9
[M]- 307.82348858 147.9
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