CID 132398632

Ethyl 2,2-difluoro-2-(3-hydroxyazetidin-3-yl)acetate hydrochloride

Structural Information

Molecular Formula
C7H11F2NO3
SMILES
CCOC(=O)C(C1(CNC1)O)(F)F
InChI
InChI=1S/C7H11F2NO3/c1-2-13-5(11)7(8,9)6(12)3-10-4-6/h10,12H,2-4H2,1H3
InChIKey
BTTAHOMDLBRSAU-UHFFFAOYSA-N
Compound name
ethyl 2,2-difluoro-2-(3-hydroxyazetidin-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.0707 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.07798 142.7
[M+Na]+ 218.05992 148.0
[M-H]- 194.06342 139.6
[M+NH4]+ 213.10452 154.6
[M+K]+ 234.03386 149.6
[M+H-H2O]+ 178.06796 131.9
[M+HCOO]- 240.06890 156.4
[M+CH3COO]- 254.08455 179.6
[M+Na-2H]- 216.04537 147.1
[M]+ 195.07015 147.1
[M]- 195.07125 147.1
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

No patent data available for this compound.