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 124.2
[M+Na]+ 162.05010 131.8
[M-H]- 138.05360 120.7
[M+NH4]+ 157.09470 145.6
[M+K]+ 178.02404 130.4
[M+H-H2O]+ 122.05814 117.4
[M+HCOO]- 184.05908 144.7
[M+CH3COO]- 198.07473 176.0
[M+Na-2H]- 160.03555 130.8
[M]+ 139.06033 119.2
[M]- 139.06143 119.2
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.