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

31
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 125.4
[M+Na]+ 162.05010 131.8
[M-H]- 138.05360 122.4
[M+NH4]+ 157.09470 138.7
[M+K]+ 178.02404 132.8
[M+H-H2O]+ 122.05814 113.1
[M+HCOO]- 184.05908 140.5
[M+CH3COO]- 198.07473 173.8
[M+Na-2H]- 160.03555 131.0
[M]+ 139.06033 126.6
[M]- 139.06143 126.6
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