CID 71656100

3-(2,2,2-trifluoroethyl)azetidine hydrochloride

Structural Information

Molecular Formula
C5H8F3N
SMILES
C1C(CN1)CC(F)(F)F
InChI
InChI=1S/C5H8F3N/c6-5(7,8)1-4-2-9-3-4/h4,9H,1-3H2
InChIKey
CHNUKKDPKWKADW-UHFFFAOYSA-N
Compound name
3-(2,2,2-trifluoroethyl)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

139.06088 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.06816 136.8
[M+Na]+ 162.05010 140.2
[M+NH4]+ 157.09470 138.9
[M+K]+ 178.02404 137.2
[M-H]- 138.05360 130.1
[M+Na-2H]- 160.03555 136.9
[M]+ 139.06033 133.9
[M]- 139.06143 133.9
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