CID 137699004

1-(2-bromoethyl)-3-(trifluoromethyl)cyclohexane

Structural Information

Molecular Formula
C9H14BrF3
SMILES
C1CC(CC(C1)C(F)(F)F)CCBr
InChI
InChI=1S/C9H14BrF3/c10-5-4-7-2-1-3-8(6-7)9(11,12)13/h7-8H,1-6H2
InChIKey
BJBSQTXSSWSGHH-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-3-(trifluoromethyl)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 161.6
[M+Na]+ 281.01232 161.3
[M+NH4]+ 276.05692 164.8
[M+K]+ 296.98626 160.3
[M-H]- 257.01582 158.1
[M+Na-2H]- 278.99777 161.1
[M]+ 258.02255 159.3
[M]- 258.02365 159.3
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.