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

(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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	168.09946	132.9
[M+Na]+	190.08140	138.8
[M-H]-	166.08490	131.5
[M+NH4]+	185.12600	152.8
[M+K]+	206.05534	136.8
[M+H-H2O]+	150.08944	125.3
[M+HCOO]-	212.09038	149.3
[M+CH3COO]-	226.10603	179.6
[M+Na-2H]-	188.06685	136.4
[M]+	167.09163	122.1
[M]-	167.09273	122.1

Literature stripe

literature stripe

Patent stripe

patents stripe