CID 65535342

[2-amino-1-(4-chlorophenyl)ethyl](methyl)(3,3,3-trifluoropropyl)amine

Structural Information

Molecular Formula
C12H16ClF3N2
SMILES
CN(CCC(F)(F)F)C(CN)C1=CC=C(C=C1)Cl
InChI
InChI=1S/C12H16ClF3N2/c1-18(7-6-12(14,15)16)11(8-17)9-2-4-10(13)5-3-9/h2-5,11H,6-8,17H2,1H3
InChIKey
IREOTOGWSYTZAH-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-N-methyl-N-(3,3,3-trifluoropropyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.0954 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.10268 159.1
[M+Na]+ 303.08462 166.7
[M+NH4]+ 298.12922 164.7
[M+K]+ 319.05856 161.5
[M-H]- 279.08812 157.3
[M+Na-2H]- 301.07007 163.0
[M]+ 280.09485 159.6
[M]- 280.09595 159.6
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.