CID 61392609

1,1,1-trifluoro-5-phenylpentan-3-amine

Structural Information

Molecular Formula
C11H14F3N
SMILES
C1=CC=C(C=C1)CCC(CC(F)(F)F)N
InChI
InChI=1S/C11H14F3N/c12-11(13,14)8-10(15)7-6-9-4-2-1-3-5-9/h1-5,10H,6-8,15H2
InChIKey
FYACPZGCLYNRKN-UHFFFAOYSA-N
Compound name
1,1,1-trifluoro-5-phenylpentan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.10783 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.11511 146.4
[M+Na]+ 240.09705 152.5
[M-H]- 216.10055 145.1
[M+NH4]+ 235.14165 164.2
[M+K]+ 256.07099 149.2
[M+H-H2O]+ 200.10509 137.8
[M+HCOO]- 262.10603 164.9
[M+CH3COO]- 276.12168 190.3
[M+Na-2H]- 238.08250 150.3
[M]+ 217.10728 140.5
[M]- 217.10838 140.5
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.