CID 58052541

1-iodo-3-methanesulfonylpropane

Structural Information

Molecular Formula
C4H9IO2S
SMILES
CS(=O)(=O)CCCI
InChI
InChI=1S/C4H9IO2S/c1-8(6,7)4-2-3-5/h2-4H2,1H3
InChIKey
IVFMJYBWFQMABO-UHFFFAOYSA-N
Compound name
1-iodo-3-methylsulfonylpropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

247.9368 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.94408 138.3
[M+Na]+ 270.92602 139.8
[M-H]- 246.92952 132.5
[M+NH4]+ 265.97062 155.5
[M+K]+ 286.89996 144.5
[M+H-H2O]+ 230.93406 130.4
[M+HCOO]- 292.93500 151.4
[M+CH3COO]- 306.95065 179.6
[M+Na-2H]- 268.91147 130.4
[M]+ 247.93625 139.2
[M]- 247.93735 139.2
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