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]+ 238.97359 129.5
[M+Na]+ 260.95553 135.5
[M-H]- 236.95903 134.3
[M+NH4]+ 256.00013 137.3
[M+K]+ 276.92947 134.7
[M+H-H2O]+ 220.96357 122.1
[M+HCOO]- 282.96451 137.5
[M+CH3COO]- 296.98016 211.3
[M+Na-2H]- 258.94098 138.9
[M]+ 237.96576 168.3
[M]- 237.96686 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.