CID 63922873

38690-81-2

Structural Information

Molecular Formula
C5H9BrO2S
SMILES
C1CC(CS(=O)(=O)C1)Br
InChI
InChI=1S/C5H9BrO2S/c6-5-2-1-3-9(7,8)4-5/h5H,1-4H2
InChIKey
RFBOGDDBWJVTLD-UHFFFAOYSA-N
Compound name
3-bromothiane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.95065 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.95793 124.1
[M+Na]+ 234.93987 136.0
[M-H]- 210.94337 130.7
[M+NH4]+ 229.98447 149.0
[M+K]+ 250.91381 125.7
[M+H-H2O]+ 194.94791 126.4
[M+HCOO]- 256.94885 139.3
[M+CH3COO]- 270.96450 178.2
[M+Na-2H]- 232.92532 131.0
[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.