CID 105427201

3-(1,1-difluoroethyl)azetidine hydrochloride

Structural Information

Molecular Formula
C5H9F2N
SMILES
CC(C1CNC1)(F)F
InChI
InChI=1S/C5H9F2N/c1-5(6,7)4-2-8-3-4/h4,8H,2-3H2,1H3
InChIKey
ZBGCOQFHTOFOFO-UHFFFAOYSA-N
Compound name
3-(1,1-difluoroethyl)azetidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

121.070305 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.07758 122.3
[M+Na]+ 144.05952 128.6
[M-H]- 120.06303 120.7
[M+NH4]+ 139.10413 136.3
[M+K]+ 160.03346 130.1
[M+H-H2O]+ 104.06756 111.0
[M+HCOO]- 166.06851 138.5
[M+CH3COO]- 180.08416 171.7
[M+Na-2H]- 142.04497 128.5
[M]+ 121.06976 124.8
[M]- 121.07085 124.8
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