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

1
Patents

139.06088 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.068156 124.2
[M+Na]+ 162.050098 131.8
[M-H]- 138.053604 120.7
[M+NH4]+ 157.094703 145.6
[M+K]+ 178.024038 130.4
[M+H-H2O]+ 122.058140 117.4
[M+HCOO]- 184.059081 144.7
[M+CH3COO]- 198.074731 176.0
[M+Na-2H]- 160.035546 130.8
[M]+ 139.06033142 119.2
[M]- 139.06142858 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

patents stripe