CID 119032072

Ethyl 2-(azetidin-3-yl)-2-fluoroacetate hydrochloride

Structural Information

Molecular Formula
C7H12FNO2
SMILES
CCOC(=O)C(C1CNC1)F
InChI
InChI=1S/C7H12FNO2/c1-2-11-7(10)6(8)5-3-9-4-5/h5-6,9H,2-4H2,1H3
InChIKey
SHSWYKLRJCDXCD-UHFFFAOYSA-N
Compound name
ethyl 2-(azetidin-3-yl)-2-fluoroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

161.0852 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.092476 135.3
[M+Na]+ 184.074418 139.7
[M-H]- 160.077924 134.3
[M+NH4]+ 179.119023 147.2
[M+K]+ 200.048358 142.0
[M+H-H2O]+ 144.082460 123.3
[M+HCOO]- 206.083401 151.9
[M+CH3COO]- 220.099051 178.5
[M+Na-2H]- 182.059866 137.7
[M]+ 161.08465142 140.9
[M]- 161.08574858 140.9
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