CID 13848850

3-iodopropane-1-sulfonamide

Structural Information

Molecular Formula
C3H8INO2S
SMILES
C(CS(=O)(=O)N)CI
InChI
InChI=1S/C3H8INO2S/c4-2-1-3-8(5,6)7/h1-3H2,(H2,5,6,7)
InChIKey
MUYMCKSQCZEKSD-UHFFFAOYSA-N
Compound name
3-iodopropane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

248.93205 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.93933 142.1
[M+Na]+ 271.92127 143.0
[M-H]- 247.92477 135.7
[M+NH4]+ 266.96587 158.4
[M+K]+ 287.89521 147.2
[M+H-H2O]+ 231.92931 133.6
[M+HCOO]- 293.93025 155.6
[M+CH3COO]- 307.94590 180.5
[M+Na-2H]- 269.90672 133.6
[M]+ 248.93150 140.6
[M]- 248.93260 140.6
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

patents stripe