CID 89166

51586-24-4

Structural Information

Molecular Formula
C8H8F3N
SMILES
C1=CC=C(C=C1)C(C(F)(F)F)N
InChI
InChI=1S/C8H8F3N/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5,7H,12H2
InChIKey
DZCAUMADOBDJJH-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

844
Patents

175.06088 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.06816 132.2
[M+Na]+ 198.05010 139.6
[M-H]- 174.05360 131.5
[M+NH4]+ 193.09470 151.7
[M+K]+ 214.02404 137.1
[M+H-H2O]+ 158.05814 124.3
[M+HCOO]- 220.05908 151.7
[M+CH3COO]- 234.07473 181.2
[M+Na-2H]- 196.03555 137.7
[M]+ 175.06033 125.2
[M]- 175.06143 125.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe