CID 63282692

1-(2,2-difluoroethyl)azetidin-3-ol

Structural Information

Molecular Formula
C5H9F2NO
SMILES
C1C(CN1CC(F)F)O
InChI
InChI=1S/C5H9F2NO/c6-5(7)3-8-1-4(9)2-8/h4-5,9H,1-3H2
InChIKey
AFFUELFVQBGZBC-UHFFFAOYSA-N
Compound name
1-(2,2-difluoroethyl)azetidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.06522 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.07250 125.6
[M+Na]+ 160.05444 131.9
[M-H]- 136.05794 123.9
[M+NH4]+ 155.09904 138.9
[M+K]+ 176.02838 133.9
[M+H-H2O]+ 120.06248 113.6
[M+HCOO]- 182.06342 142.4
[M+CH3COO]- 196.07907 175.1
[M+Na-2H]- 158.03989 129.2
[M]+ 137.06467 129.7
[M]- 137.06577 129.7
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.