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]+ 188.068156 135.4
[M+Na]+ 210.050098 144.0
[M-H]- 186.053604 134.9
[M+NH4]+ 205.094703 154.8
[M+K]+ 226.024038 140.1
[M+H-H2O]+ 170.058140 127.5
[M+HCOO]- 232.059081 155.8
[M+CH3COO]- 246.074731 183.0
[M+Na-2H]- 208.035546 140.9
[M]+ 187.06033142 129.0
[M]- 187.06142858 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.