CID 137952189

2219379-89-0

Structural Information

Molecular Formula
C5H9BrO2S
SMILES
CC1(CS(=O)(=O)C1)CBr
InChI
InChI=1S/C5H9BrO2S/c1-5(2-6)3-9(7,8)4-5/h2-4H2,1H3
InChIKey
XAEIZYHESITMPV-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-3-methylthietane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.95065 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.95793 112.9
[M+Na]+ 234.93987 124.6
[M-H]- 210.94337 120.0
[M+NH4]+ 229.98447 133.4
[M+K]+ 250.91381 117.3
[M+H-H2O]+ 194.94791 111.9
[M+HCOO]- 256.94885 129.0
[M+CH3COO]- 270.96450 182.9
[M+Na-2H]- 232.92532 121.8
[M]+ 211.95010 141.8
[M]- 211.95120 141.8
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

No patent data available for this compound.