CID 24689355

1-(4-chlorophenyl)-3,3,3-trifluoropropan-1-amine

Structural Information

Molecular Formula
C9H9ClF3N
SMILES
C1=CC(=CC=C1C(CC(F)(F)F)N)Cl
InChI
InChI=1S/C9H9ClF3N/c10-7-3-1-6(2-4-7)8(14)5-9(11,12)13/h1-4,8H,5,14H2
InChIKey
CFWADCJNLVSUEU-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3,3,3-trifluoropropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.03757 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.04485 144.5
[M+Na]+ 246.02679 153.6
[M+NH4]+ 241.07139 150.8
[M+K]+ 262.00073 148.2
[M-H]- 222.03029 142.2
[M+Na-2H]- 244.01224 149.1
[M]+ 223.03702 145.1
[M]- 223.03812 145.1
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.