CID 139026552

2-(bromomethyl)-2-(trifluoromethyl)bicyclo[2.2.2]octane

Structural Information

Molecular Formula
C10H14BrF3
SMILES
C1CC2CCC1CC2(CBr)C(F)(F)F
InChI
InChI=1S/C10H14BrF3/c11-6-9(10(12,13)14)5-7-1-3-8(9)4-2-7/h7-8H,1-6H2
InChIKey
IXPSXNKONVCUOO-UHFFFAOYSA-N
Compound name
2-(bromomethyl)-2-(trifluoromethyl)bicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.0231 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.03038 163.1
[M+Na]+ 293.01232 171.7
[M-H]- 269.01582 159.3
[M+NH4]+ 288.05692 189.1
[M+K]+ 308.98626 160.5
[M+H-H2O]+ 253.02036 162.8
[M+HCOO]- 315.02130 168.6
[M+CH3COO]- 329.03695 197.5
[M+Na-2H]- 290.99777 172.9
[M]+ 270.02255 177.0
[M]- 270.02365 177.0
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.