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]+ 139.056516 122.6
[M+Na]+ 161.038458 130.1
[M-H]- 137.041964 122.9
[M+NH4]+ 156.083063 144.2
[M+K]+ 177.012398 130.3
[M+H-H2O]+ 121.046500 116.9
[M+HCOO]- 183.047441 140.0
[M+CH3COO]- 197.063091 167.8
[M+Na-2H]- 159.023906 129.8
[M]+ 138.04869142 116.7
[M]- 138.04978858 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.