CID 89836102

6,6-difluoro-1-oxaspiro[2.5]octane

Structural Information

Molecular Formula
C7H10F2O
SMILES
C1CC(CCC12CO2)(F)F
InChI
InChI=1S/C7H10F2O/c8-7(9)3-1-6(2-4-7)5-10-6/h1-5H2
InChIKey
VINRUNPQHUYDTJ-UHFFFAOYSA-N
Compound name
6,6-difluoro-1-oxaspiro[2.5]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

148.06998 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.077256 126.8
[M+Na]+ 171.059198 136.1
[M-H]- 147.062704 131.8
[M+NH4]+ 166.103803 145.9
[M+K]+ 187.033138 137.2
[M+H-H2O]+ 131.067240 120.6
[M+HCOO]- 193.068181 144.4
[M+CH3COO]- 207.083831 175.8
[M+Na-2H]- 169.044646 135.8
[M]+ 148.06943142 124.4
[M]- 148.07052858 124.4
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