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 135.4
[M+Na]+ 210.05010 144.0
[M-H]- 186.05360 134.9
[M+NH4]+ 205.09470 154.8
[M+K]+ 226.02404 140.1
[M+H-H2O]+ 170.05814 127.5
[M+HCOO]- 232.05908 155.8
[M+CH3COO]- 246.07473 183.0
[M+Na-2H]- 208.03555 140.9
[M]+ 187.06033 129.0
[M]- 187.06143 129.0
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.