CID 131451950

2,4,4-trifluorocyclohexan-1-amine hydrochloride

Structural Information

Molecular Formula
C6H10F3N
SMILES
C1CC(CC(C1N)F)(F)F
InChI
InChI=1S/C6H10F3N/c7-4-3-6(8,9)2-1-5(4)10/h4-5H,1-3,10H2
InChIKey
JJJMJVVVFVVZMW-UHFFFAOYSA-N
Compound name
2,4,4-trifluorocyclohexan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

153.07654 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.083816 127.2
[M+Na]+ 176.065758 134.8
[M-H]- 152.069264 126.5
[M+NH4]+ 171.110363 149.8
[M+K]+ 192.039698 132.9
[M+H-H2O]+ 136.073800 120.3
[M+HCOO]- 198.074741 145.5
[M+CH3COO]- 212.090391 177.6
[M+Na-2H]- 174.051206 131.1
[M]+ 153.07599142 117.3
[M]- 153.07708858 117.3
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.