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 142.0
[M+Na]+ 246.02679 150.7
[M-H]- 222.03029 141.3
[M+NH4]+ 241.07139 160.7
[M+K]+ 262.00073 145.8
[M+H-H2O]+ 206.03483 134.8
[M+HCOO]- 268.03577 156.7
[M+CH3COO]- 282.05142 189.2
[M+Na-2H]- 244.01224 145.9
[M]+ 223.03702 137.8
[M]- 223.03812 137.8
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.