CID 91755141

7-fluoro-1,4-dioxaspiro[4.5]decan-8-one

Structural Information

Molecular Formula
C8H11FO3
SMILES
C1CC2(CC(C1=O)F)OCCO2
InChI
InChI=1S/C8H11FO3/c9-6-5-8(2-1-7(6)10)11-3-4-12-8/h6H,1-5H2
InChIKey
NRPFDYDTOGVMQW-UHFFFAOYSA-N
Compound name
7-fluoro-1,4-dioxaspiro[4.5]decan-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.06923 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.07651 132.5
[M+Na]+ 197.05845 139.4
[M-H]- 173.06195 137.7
[M+NH4]+ 192.10305 153.9
[M+K]+ 213.03239 140.4
[M+H-H2O]+ 157.06649 127.3
[M+HCOO]- 219.06743 150.2
[M+CH3COO]- 233.08308 174.8
[M+Na-2H]- 195.04390 138.7
[M]+ 174.06868 128.2
[M]- 174.06978 128.2
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.