CID 91654527

332041-59-5

Structural Information

Molecular Formula
C5H9BrOS
SMILES
C1CC(CS(=O)C1)Br
InChI
InChI=1S/C5H9BrOS/c6-5-2-1-3-8(7)4-5/h5H,1-4H2
InChIKey
WQMKSTDVFKPDJB-UHFFFAOYSA-N
Compound name
3-bromothiane 1-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.95575 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.96303 120.5
[M+Na]+ 218.94497 122.7
[M+NH4]+ 213.98957 126.8
[M+K]+ 234.91891 121.8
[M-H]- 194.94847 121.5
[M+Na-2H]- 216.93042 123.6
[M]+ 195.95520 120.3
[M]- 195.95630 120.3
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.