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

13
Patents

307.82294 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.83022 145.8
[M+Na]+ 330.81216 150.5
[M-H]- 306.81566 143.9
[M+NH4]+ 325.85676 163.5
[M+K]+ 346.78610 151.7
[M+H-H2O]+ 290.82020 139.0
[M+HCOO]- 352.82114 151.9
[M+CH3COO]- 366.83679 184.5
[M+Na-2H]- 328.79761 135.8
[M]+ 307.82239 147.9
[M]- 307.82349 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