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 160.5
[M+Na]+ 303.08462 167.2
[M-H]- 279.08812 160.6
[M+NH4]+ 298.12922 177.2
[M+K]+ 319.05856 163.0
[M+H-H2O]+ 263.09266 152.1
[M+HCOO]- 325.09360 175.7
[M+CH3COO]- 339.10925 206.6
[M+Na-2H]- 301.07007 162.2
[M]+ 280.09485 158.1
[M]- 280.09595 158.1
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.