CID 146049345

2411266-81-2

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 136.7
[M+Na]+ 308.95552 143.0
[M-H]- 284.95902 143.5
[M+NH4]+ 304.00012 143.2
[M+K]+ 324.92946 142.0
[M+H-H2O]+ 268.96356 128.1
[M+HCOO]- 330.96450 145.3
[M+CH3COO]- 344.98015 216.4
[M+Na-2H]- 306.94097 146.6
[M]+ 285.96575 175.2
[M]- 285.96685 175.2
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.