CID 64759257

1-bromo-3-(trifluoromethyl)cyclohexane

Structural Information

Molecular Formula
C7H10BrF3
SMILES
C1CC(CC(C1)Br)C(F)(F)F
InChI
InChI=1S/C7H10BrF3/c8-6-3-1-2-5(4-6)7(9,10)11/h5-6H,1-4H2
InChIKey
VGLLQVQRQBLTMP-UHFFFAOYSA-N
Compound name
1-bromo-3-(trifluoromethyl)cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.9918 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.99908 145.7
[M+Na]+ 252.98102 155.7
[M-H]- 228.98452 147.7
[M+NH4]+ 248.02562 167.2
[M+K]+ 268.95496 144.8
[M+H-H2O]+ 212.98906 144.3
[M+HCOO]- 274.99000 159.6
[M+CH3COO]- 289.00565 186.0
[M+Na-2H]- 250.96647 150.5
[M]+ 229.99125 155.6
[M]- 229.99235 155.6
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.