CID 203837

15270-68-5

Structural Information

Molecular Formula
C13H14F3N
SMILES
CC(CC1=CC(=CC=C1)C(F)(F)F)NCC#C
InChI
InChI=1S/C13H14F3N/c1-3-7-17-10(2)8-11-5-4-6-12(9-11)13(14,15)16/h1,4-6,9-10,17H,7-8H2,2H3
InChIKey
IZZLBKSVDHDIMQ-UHFFFAOYSA-N
Compound name
N-prop-2-ynyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.10783 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11511 159.1
[M+Na]+ 264.09705 168.1
[M+NH4]+ 259.14165 161.5
[M+K]+ 280.07099 158.6
[M-H]- 240.10055 149.1
[M+Na-2H]- 262.08250 160.0
[M]+ 241.10728 156.6
[M]- 241.10838 156.6
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.