CID 165751109

4-bromo-1-(iodomethyl)-2-oxabicyclo[2.1.1]hexane

Structural Information

Molecular Formula
C6H8BrIO
SMILES
C1C2(CC1(OC2)CI)Br
InChI
InChI=1S/C6H8BrIO/c7-5-1-6(2-5,3-8)9-4-5/h1-4H2
InChIKey
QMBIUOJMRRBQFB-UHFFFAOYSA-N
Compound name
4-bromo-1-(iodomethyl)-2-oxabicyclo[2.1.1]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.88034 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.88762 132.9
[M+Na]+ 324.86956 138.2
[M-H]- 300.87306 132.1
[M+NH4]+ 319.91416 154.3
[M+K]+ 340.84350 137.6
[M+H-H2O]+ 284.87760 130.9
[M+HCOO]- 346.87854 145.8
[M+CH3COO]- 360.89419 145.1
[M+Na-2H]- 322.85501 134.6
[M]+ 301.87979 159.5
[M]- 301.88089 159.5
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.