CID 155821510

2460750-22-3

Structural Information

Molecular Formula
C7H11BrO2S
SMILES
CCS(=O)(=O)C12CC(C1)(C2)Br
InChI
InChI=1S/C7H11BrO2S/c1-2-11(9,10)7-3-6(8,4-7)5-7/h2-5H2,1H3
InChIKey
NHIGUMIUUUAGHH-UHFFFAOYSA-N
Compound name
1-bromo-3-ethylsulfonylbicyclo[1.1.1]pentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.96631 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.973586 129.5
[M+Na]+ 260.955528 135.5
[M-H]- 236.959034 134.3
[M+NH4]+ 256.000133 137.3
[M+K]+ 276.929468 134.7
[M+H-H2O]+ 220.963570 122.1
[M+HCOO]- 282.964511 137.5
[M+CH3COO]- 296.980161 211.3
[M+Na-2H]- 258.940976 138.9
[M]+ 237.96576142 168.3
[M]- 237.96685858 168.3
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.