CID 3056369

73758-30-2

Structural Information

Molecular Formula
C19H18F3N
SMILES
CC(CC1=CC(=CC=C1)C(F)(F)F)NCC#CC2=CC=CC=C2
InChI
InChI=1S/C19H18F3N/c1-15(23-12-6-10-16-7-3-2-4-8-16)13-17-9-5-11-18(14-17)19(20,21)22/h2-5,7-9,11,14-15,23H,12-13H2,1H3
InChIKey
FCNDNDLSSPPNRJ-UHFFFAOYSA-N
Compound name
N-(3-phenylprop-2-ynyl)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.13913 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.14641 176.3
[M+Na]+ 340.12835 184.3
[M-H]- 316.13185 176.0
[M+NH4]+ 335.17295 188.3
[M+K]+ 356.10229 176.2
[M+H-H2O]+ 300.13639 160.1
[M+HCOO]- 362.13733 188.8
[M+CH3COO]- 376.15298 213.9
[M+Na-2H]- 338.11380 177.4
[M]+ 317.13858 166.0
[M]- 317.13968 166.0
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.