CID 3049688

65126-79-6

Structural Information

Molecular Formula
C16H20F3N
SMILES
CCCN(CCC)CC#CC1=CC(=CC=C1)C(F)(F)F
InChI
InChI=1S/C16H20F3N/c1-3-10-20(11-4-2)12-6-8-14-7-5-9-15(13-14)16(17,18)19/h5,7,9,13H,3-4,10-12H2,1-2H3
InChIKey
FRMVEUMKPDCOBR-UHFFFAOYSA-N
Compound name
N,N-dipropyl-3-[3-(trifluoromethyl)phenyl]prop-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

283.1548 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.16208 163.5
[M+Na]+ 306.14402 171.4
[M-H]- 282.14752 162.4
[M+NH4]+ 301.18862 178.0
[M+K]+ 322.11796 166.7
[M+H-H2O]+ 266.15206 148.4
[M+HCOO]- 328.15300 177.3
[M+CH3COO]- 342.16865 212.3
[M+Na-2H]- 304.12947 164.9
[M]+ 283.15425 156.4
[M]- 283.15535 156.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.