CID 28563252

1197728-57-6

Structural Information

Molecular Formula
C5H8F3N
SMILES
C=CCNCC(F)(F)F
InChI
InChI=1S/C5H8F3N/c1-2-3-9-4-5(6,7)8/h2,9H,1,3-4H2
InChIKey
NWXJQPBOJWODIW-UHFFFAOYSA-N
Compound name
N-(2,2,2-trifluoroethyl)prop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.06088 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.06816 131.3
[M+Na]+ 162.05010 138.3
[M+NH4]+ 157.09470 136.8
[M+K]+ 178.02404 133.3
[M-H]- 138.05360 126.7
[M+Na-2H]- 160.03555 133.5
[M]+ 139.06033 130.5
[M]- 139.06143 130.5
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

No patent data available for this compound.