CID 205043

3-iodotetrahydrothiophene 1,1-dioxide

Structural Information

Molecular Formula
C4H7IO2S
SMILES
C1CS(=O)(=O)CC1I
InChI
InChI=1S/C4H7IO2S/c5-4-1-2-8(6,7)3-4/h4H,1-3H2
InChIKey
CGOFTYIAIKDBLL-UHFFFAOYSA-N
Compound name
3-iodothiolane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
Patents

245.92114 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.92842 131.1
[M+Na]+ 268.91036 133.7
[M-H]- 244.91386 128.5
[M+NH4]+ 263.95496 151.9
[M+K]+ 284.88430 138.2
[M+H-H2O]+ 228.91840 124.1
[M+HCOO]- 290.91934 145.5
[M+CH3COO]- 304.93499 176.3
[M+Na-2H]- 266.89581 122.7
[M]+ 245.92059 129.2
[M]- 245.92169 129.2
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