CID 167727643

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

Structural Information

Molecular Formula
C12H13BrO
SMILES
C1C2(CC1(OC2)C3=CC=CC=C3)CBr
InChI
InChI=1S/C12H13BrO/c13-8-11-6-12(7-11,14-9-11)10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKey
WNOBHYJRPZNFPP-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-1-phenyl-2-oxabicyclo[2.1.1]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.01498 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.02226 147.5
[M+Na]+ 275.00420 158.3
[M-H]- 251.00770 155.6
[M+NH4]+ 270.04880 171.5
[M+K]+ 290.97814 151.6
[M+H-H2O]+ 235.01224 147.2
[M+HCOO]- 297.01318 164.5
[M+CH3COO]- 311.02883 162.6
[M+Na-2H]- 272.98965 158.3
[M]+ 252.01443 177.9
[M]- 252.01553 177.9
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.