CID 155977815

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

Structural Information

Molecular Formula
C7H8BrF3O
SMILES
C1C2(CC1(OC2)C(F)(F)F)CBr
InChI
InChI=1S/C7H8BrF3O/c8-3-5-1-6(2-5,12-4-5)7(9,10)11/h1-4H2
InChIKey
DBIYKBCZFWBPPQ-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-1-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.97105 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.97833 149.8
[M+Na]+ 266.96027 161.7
[M-H]- 242.96377 151.7
[M+NH4]+ 262.00487 174.1
[M+K]+ 282.93421 154.9
[M+H-H2O]+ 226.96831 149.2
[M+HCOO]- 288.96925 162.2
[M+CH3COO]- 302.98490 191.3
[M+Na-2H]- 264.94572 160.2
[M]+ 243.97050 176.7
[M]- 243.97160 176.7
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.