CID 155821248

2460755-64-8

Structural Information

Molecular Formula
C8H13BrO2S
SMILES
CC(C)S(=O)(=O)C12CC(C1)(C2)Br
InChI
InChI=1S/C8H13BrO2S/c1-6(2)12(10,11)8-3-7(9,4-8)5-8/h6H,3-5H2,1-2H3
InChIKey
LQYQCXKZFMOAMT-UHFFFAOYSA-N
Compound name
1-bromo-3-propan-2-ylsulfonylbicyclo[1.1.1]pentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.98196 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.98924 137.3
[M+Na]+ 274.97118 142.5
[M-H]- 250.97468 141.8
[M+NH4]+ 270.01578 144.5
[M+K]+ 290.94512 141.9
[M+H-H2O]+ 234.97922 129.5
[M+HCOO]- 296.98016 144.0
[M+CH3COO]- 310.99581 213.9
[M+Na-2H]- 272.95663 145.1
[M]+ 251.98141 175.8
[M]- 251.98251 175.8
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.