CID 127259714

1089296-90-1

Structural Information

Molecular Formula
C9H8F3N
SMILES
C1=CC(=CC=C1/C=C/C(F)(F)F)N
InChI
InChI=1S/C9H8F3N/c10-9(11,12)6-5-7-1-3-8(13)4-2-7/h1-6H,13H2/b6-5+
InChIKey
DFEXHTPAGGFPLU-AATRIKPKSA-N
Compound name
4-[(E)-3,3,3-trifluoroprop-1-enyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.06088 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.06816 141.4
[M+Na]+ 210.05010 150.4
[M+NH4]+ 205.09470 147.4
[M+K]+ 226.02404 144.6
[M-H]- 186.05360 139.2
[M+Na-2H]- 208.03555 146.0
[M]+ 187.06033 141.7
[M]- 187.06143 141.7
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

No patent data available for this compound.