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 140.0
[M+Na]+ 224.06576 147.8
[M-H]- 200.06926 139.3
[M+NH4]+ 219.11036 158.7
[M+K]+ 240.03970 144.2
[M+H-H2O]+ 184.07380 132.0
[M+HCOO]- 246.07474 159.0
[M+CH3COO]- 260.09039 187.5
[M+Na-2H]- 222.05121 143.8
[M]+ 201.07599 133.3
[M]- 201.07709 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.