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]+ 202.083816 140.0
[M+Na]+ 224.065758 147.8
[M-H]- 200.069264 139.3
[M+NH4]+ 219.110363 158.7
[M+K]+ 240.039698 144.2
[M+H-H2O]+ 184.073800 132.0
[M+HCOO]- 246.074741 159.0
[M+CH3COO]- 260.090391 187.5
[M+Na-2H]- 222.051206 143.8
[M]+ 201.07599142 133.3
[M]- 201.07708858 133.3
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.