CID 53487202

1391528-41-8

Structural Information

Molecular Formula
C10H10F3N
SMILES
C=C[C@@H](C1=CC=C(C=C1)C(F)(F)F)N
InChI
InChI=1S/C10H10F3N/c1-2-9(14)7-3-5-8(6-4-7)10(11,12)13/h2-6,9H,1,14H2/t9-/m0/s1
InChIKey
VQHLJBHRAVBSPS-VIFPVBQESA-N
Compound name
(1S)-1-[4-(trifluoromethyl)phenyl]prop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.07654 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.08382 145.9
[M+Na]+ 224.06576 154.3
[M+NH4]+ 219.11036 151.6
[M+K]+ 240.03970 149.0
[M-H]- 200.06926 143.4
[M+Na-2H]- 222.05121 149.9
[M]+ 201.07599 146.0
[M]- 201.07709 146.0
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.