CID 203833

15270-39-0

Structural Information

Molecular Formula
C13H16F3N
SMILES
CC(CC1=CC(=CC=C1)C(F)(F)F)NCC=C
InChI
InChI=1S/C13H16F3N/c1-3-7-17-10(2)8-11-5-4-6-12(9-11)13(14,15)16/h3-6,9-10,17H,1,7-8H2,2H3
InChIKey
FDCJEDHALAMHTI-UHFFFAOYSA-N
Compound name
N-prop-2-enyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.12349 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.130766 153.6
[M+Na]+ 266.112708 160.1
[M-H]- 242.116214 152.9
[M+NH4]+ 261.157313 170.9
[M+K]+ 282.086648 156.1
[M+H-H2O]+ 226.120750 144.9
[M+HCOO]- 288.121691 172.2
[M+CH3COO]- 302.137341 197.3
[M+Na-2H]- 264.098156 156.8
[M]+ 243.12294142 149.1
[M]- 243.12403858 149.1
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.