CID 105530091

4,4-difluorooxan-3-ol

Structural Information

Molecular Formula
C5H8F2O2
SMILES
C1COCC(C1(F)F)O
InChI
InChI=1S/C5H8F2O2/c6-5(7)1-2-9-3-4(5)8/h4,8H,1-3H2
InChIKey
APCYMDTYOOILOY-UHFFFAOYSA-N
Compound name
4,4-difluorooxan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.04924 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.05652 122.6
[M+Na]+ 161.03846 130.1
[M-H]- 137.04196 122.9
[M+NH4]+ 156.08306 144.2
[M+K]+ 177.01240 130.3
[M+H-H2O]+ 121.04650 116.9
[M+HCOO]- 183.04744 140.0
[M+CH3COO]- 197.06309 167.8
[M+Na-2H]- 159.02391 129.8
[M]+ 138.04869 116.7
[M]- 138.04979 116.7
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.