CID 55283851

(s)-1,1,1-trifluoropent-4-en-2-amine hydrochloride

Structural Information

Molecular Formula
C5H8F3N
SMILES
C=CC[C@@H](C(F)(F)F)N
InChI
InChI=1S/C5H8F3N/c1-2-3-4(9)5(6,7)8/h2,4H,1,3,9H2/t4-/m0/s1
InChIKey
QONXYMBCSLLBKB-BYPYZUCNSA-N
Compound name
(2S)-1,1,1-trifluoropent-4-en-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 124.9
[M+Na]+ 162.05010 132.3
[M-H]- 138.05360 121.0
[M+NH4]+ 157.09470 146.0
[M+K]+ 178.02404 130.9
[M+H-H2O]+ 122.05814 118.2
[M+HCOO]- 184.05908 143.8
[M+CH3COO]- 198.07473 176.1
[M+Na-2H]- 160.03555 129.2
[M]+ 139.06033 118.2
[M]- 139.06143 118.2
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

patents stripe