CID 146049345

1-(benzenesulfonyl)-3-bromobicyclo[1.1.1]pentane

Structural Information

Molecular Formula
C11H11BrO2S
SMILES
C1C2(CC1(C2)Br)S(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C11H11BrO2S/c12-10-6-11(7-10,8-10)15(13,14)9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKey
KOJODBNBOCFNHY-UHFFFAOYSA-N
Compound name
1-(benzenesulfonyl)-3-bromobicyclo[1.1.1]pentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.9663 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.97358 142.6
[M+Na]+ 308.95552 135.7
[M+NH4]+ 304.00012 141.3
[M+K]+ 324.92946 137.1
[M-H]- 284.95902 136.7
[M+Na-2H]- 306.94097 141.2
[M]+ 285.96575 137.3
[M]- 285.96685 137.3
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.