CID 155970726

2639434-33-4

Structural Information

Molecular Formula
C9H14BrF3
SMILES
C1CC(CCC1CC(F)(F)F)CBr
InChI
InChI=1S/C9H14BrF3/c10-6-8-3-1-7(2-4-8)5-9(11,12)13/h7-8H,1-6H2
InChIKey
STFPQGOZSZGPMQ-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-4-(2,2,2-trifluoroethyl)cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.0231 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.03038 155.0
[M+Na]+ 281.01232 164.3
[M-H]- 257.01582 156.7
[M+NH4]+ 276.05692 175.5
[M+K]+ 296.98626 152.9
[M+H-H2O]+ 241.02036 153.3
[M+HCOO]- 303.02130 168.3
[M+CH3COO]- 317.03695 191.6
[M+Na-2H]- 278.99777 158.7
[M]+ 258.02255 165.6
[M]- 258.02365 165.6
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.