CID 43810724

3-(trifluoromethyl)-n-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine

Structural Information

Molecular Formula
C14H21F6N
SMILES
C1CC(CC(C1)NC2CCCC(C2)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C14H21F6N/c15-13(16,17)9-3-1-5-11(7-9)21-12-6-2-4-10(8-12)14(18,19)20/h9-12,21H,1-8H2
InChIKey
CWLMKZQZGZWEAK-UHFFFAOYSA-N
Compound name
3-(trifluoromethyl)-N-[3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.1578 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.16508 171.6
[M+Na]+ 340.14702 174.5
[M-H]- 316.15052 168.5
[M+NH4]+ 335.19162 185.1
[M+K]+ 356.12096 170.0
[M+H-H2O]+ 300.15506 159.8
[M+HCOO]- 362.15600 178.5
[M+CH3COO]- 376.17165 207.7
[M+Na-2H]- 338.13247 170.2
[M]+ 317.15725 153.7
[M]- 317.15835 153.7
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.