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]+ 281.102676 160.5
[M+Na]+ 303.084618 167.2
[M-H]- 279.088124 160.6
[M+NH4]+ 298.129223 177.2
[M+K]+ 319.058558 163.0
[M+H-H2O]+ 263.092660 152.1
[M+HCOO]- 325.093601 175.7
[M+CH3COO]- 339.109251 206.6
[M+Na-2H]- 301.070066 162.2
[M]+ 280.09485142 158.1
[M]- 280.09594858 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.