CID 203836

15270-53-8

Structural Information

Molecular Formula
C15H18F3N
SMILES
CC(CC1=CC(=CC=C1)C(F)(F)F)NCCCC#C
InChI
InChI=1S/C15H18F3N/c1-3-4-5-9-19-12(2)10-13-7-6-8-14(11-13)15(16,17)18/h1,6-8,11-12,19H,4-5,9-10H2,2H3
InChIKey
ZLWCFYKRUBXKGM-UHFFFAOYSA-N
Compound name
N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]pent-4-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.13913 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.14641 160.0
[M+Na]+ 292.12835 167.7
[M-H]- 268.13185 157.7
[M+NH4]+ 287.17295 174.2
[M+K]+ 308.10229 162.5
[M+H-H2O]+ 252.13639 145.3
[M+HCOO]- 314.13733 172.7
[M+CH3COO]- 328.15298 208.4
[M+Na-2H]- 290.11380 161.4
[M]+ 269.13858 151.0
[M]- 269.13968 151.0
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.