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

24
Patents

139.06088 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.068156 125.4
[M+Na]+ 162.050098 131.8
[M-H]- 138.053604 122.4
[M+NH4]+ 157.094703 138.7
[M+K]+ 178.024038 132.8
[M+H-H2O]+ 122.058140 113.1
[M+HCOO]- 184.059081 140.5
[M+CH3COO]- 198.074731 173.8
[M+Na-2H]- 160.035546 131.0
[M]+ 139.06033142 126.6
[M]- 139.06142858 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