CID 25323749

1335234-06-4

Structural Information

Molecular Formula
C7H12F3N
SMILES
C1CC[C@H]([C@H](C1)C(F)(F)F)N
InChI
InChI=1S/C7H12F3N/c8-7(9,10)5-3-1-2-4-6(5)11/h5-6H,1-4,11H2/t5-,6+/m0/s1
InChIKey
KHKJUJGNSSJMED-NTSWFWBYSA-N
Compound name
cis-(1R,2S)-2-(trifluoromethyl)cyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

167.09218 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.099456 132.9
[M+Na]+ 190.081398 138.8
[M-H]- 166.084904 131.5
[M+NH4]+ 185.126003 152.8
[M+K]+ 206.055338 136.8
[M+H-H2O]+ 150.089440 125.3
[M+HCOO]- 212.090381 149.3
[M+CH3COO]- 226.106031 179.6
[M+Na-2H]- 188.066846 136.4
[M]+ 167.09163142 122.1
[M]- 167.09272858 122.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe