CID 84679478

3-(2-bromoethyl)thietane 1,1-dioxide

Structural Information

Molecular Formula
C5H9BrO2S
SMILES
C1C(CS1(=O)=O)CCBr
InChI
InChI=1S/C5H9BrO2S/c6-2-1-5-3-9(7,8)4-5/h5H,1-4H2
InChIKey
AIXUJUMUTXFSHU-UHFFFAOYSA-N
Compound name
3-(2-bromoethyl)thietane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
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 122.3
[M+Na]+ 234.93987 120.3
[M+NH4]+ 229.98447 125.2
[M+K]+ 250.91381 120.3
[M-H]- 210.94337 119.5
[M+Na-2H]- 232.92532 123.8
[M]+ 211.95010 119.5
[M]- 211.95120 119.5
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