CID 20520069

1-iodo-2-methanesulfonylethane

Structural Information

Molecular Formula
C3H7IO2S
SMILES
CS(=O)(=O)CCI
InChI
InChI=1S/C3H7IO2S/c1-7(5,6)3-2-4/h2-3H2,1H3
InChIKey
MNZXVIVVEANNOZ-UHFFFAOYSA-N
Compound name
1-iodo-2-methylsulfonylethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

233.92114 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.92842 133.5
[M+Na]+ 256.91036 135.5
[M-H]- 232.91386 127.9
[M+NH4]+ 251.95496 151.2
[M+K]+ 272.88430 140.4
[M+H-H2O]+ 216.91840 125.8
[M+HCOO]- 278.91934 147.0
[M+CH3COO]- 292.93499 176.7
[M+Na-2H]- 254.89581 126.2
[M]+ 233.92059 134.1
[M]- 233.92169 134.1
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