CID 28501493

1241682-25-6

Structural Information

Molecular Formula
C8H8F3N
SMILES
C[C@H](C1=C(C=C(C=C1F)F)F)N
InChI
InChI=1S/C8H8F3N/c1-4(12)8-6(10)2-5(9)3-7(8)11/h2-4H,12H2,1H3/t4-/m1/s1
InChIKey
SHTDOEJRDZKMMX-SCSAIBSYSA-N
Compound name
(1R)-1-(2,4,6-trifluorophenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

175.06088 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.06816 131.2
[M+Na]+ 198.05010 140.9
[M-H]- 174.05360 131.3
[M+NH4]+ 193.09470 151.5
[M+K]+ 214.02404 138.0
[M+H-H2O]+ 158.05814 123.4
[M+HCOO]- 220.05908 152.2
[M+CH3COO]- 234.07473 185.0
[M+Na-2H]- 196.03555 134.0
[M]+ 175.06033 125.9
[M]- 175.06143 125.9
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

patents stripe