CID 165766527

1-(bromomethyl)-4-methanesulfonyl-2-oxabicyclo[2.1.1]hexane

Structural Information

Molecular Formula
C7H11BrO3S
SMILES
CS(=O)(=O)C12CC(C1)(OC2)CBr
InChI
InChI=1S/C7H11BrO3S/c1-12(9,10)7-2-6(3-7,4-8)11-5-7/h2-5H2,1H3
InChIKey
XRRFUKNPJMLOAF-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-4-methylsulfonyl-2-oxabicyclo[2.1.1]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.96123 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.96851 139.5
[M+Na]+ 276.95045 150.8
[M-H]- 252.95395 144.4
[M+NH4]+ 271.99505 163.8
[M+K]+ 292.92439 145.6
[M+H-H2O]+ 236.95849 141.6
[M+HCOO]- 298.95943 150.8
[M+CH3COO]- 312.97508 190.1
[M+Na-2H]- 274.93590 151.4
[M]+ 253.96068 173.9
[M]- 253.96178 173.9
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.