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]+ 244.13077 153.6
[M+Na]+ 266.11271 160.1
[M-H]- 242.11621 152.9
[M+NH4]+ 261.15731 170.9
[M+K]+ 282.08665 156.1
[M+H-H2O]+ 226.12075 144.9
[M+HCOO]- 288.12169 172.2
[M+CH3COO]- 302.13734 197.3
[M+Na-2H]- 264.09816 156.8
[M]+ 243.12294 149.1
[M]- 243.12404 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.