CID 121208297

1-(bromomethyl)-1-(trifluoromethyl)cyclohexane

Structural Information

Molecular Formula
C8H12BrF3
SMILES
C1CCC(CC1)(CBr)C(F)(F)F
InChI
InChI=1S/C8H12BrF3/c9-6-7(8(10,11)12)4-2-1-3-5-7/h1-6H2
InChIKey
JWEZCCBUISMUCB-UHFFFAOYSA-N
Compound name
1-(bromomethyl)-1-(trifluoromethyl)cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.00745 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.01473 149.3
[M+Na]+ 266.99667 159.0
[M-H]- 243.00017 151.3
[M+NH4]+ 262.04127 172.0
[M+K]+ 282.97061 148.2
[M+H-H2O]+ 227.00471 148.6
[M+HCOO]- 289.00565 163.1
[M+CH3COO]- 303.02130 187.4
[M+Na-2H]- 264.98212 155.4
[M]+ 244.00690 159.8
[M]- 244.00800 159.8
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.