CID 165882763

1-(bromomethyl)-3-phenyl-2-oxabicyclo[2.1.1]hexane

Structural Information

Molecular Formula
C12H13BrO
SMILES
C1C2CC1(OC2C3=CC=CC=C3)CBr
InChI
InChI=1S/C12H13BrO/c13-8-12-6-10(7-12)11(14-12)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2
InChIKey
KNUQMGJQHSWZHG-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-3-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

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.02226 146.9
[M+Na]+ 275.00420 157.4
[M-H]- 251.00770 154.9
[M+NH4]+ 270.04880 169.3
[M+K]+ 290.97814 151.0
[M+H-H2O]+ 235.01224 146.3
[M+HCOO]- 297.01318 163.8
[M+CH3COO]- 311.02883 161.9
[M+Na-2H]- 272.98965 156.4
[M]+ 252.01443 177.2
[M]- 252.01553 177.2
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.