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

19
Patents

121.070305 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 122.077581 122.3
[M+Na]+ 144.059523 128.6
[M-H]- 120.063029 120.7
[M+NH4]+ 139.104128 136.3
[M+K]+ 160.033463 130.1
[M+H-H2O]+ 104.067565 111.0
[M+HCOO]- 166.068506 138.5
[M+CH3COO]- 180.084156 171.7
[M+Na-2H]- 142.044971 128.5
[M]+ 121.06975642 124.8
[M]- 121.07085358 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