CID 164659295

9,9-difluoro-1-oxaspiro[5.5]undecan-4-one

Structural Information

Molecular Formula
C10H14F2O2
SMILES
C1COC2(CCC(CC2)(F)F)CC1=O
InChI
InChI=1S/C10H14F2O2/c11-10(12)4-2-9(3-5-10)7-8(13)1-6-14-9/h1-7H2
InChIKey
QMCDJYZJXHXFDC-UHFFFAOYSA-N
Compound name
9,9-difluoro-1-oxaspiro[5.5]undecan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.09619 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.10347 141.9
[M+Na]+ 227.08541 148.1
[M-H]- 203.08891 145.0
[M+NH4]+ 222.13001 163.5
[M+K]+ 243.05935 147.4
[M+H-H2O]+ 187.09345 134.9
[M+HCOO]- 249.09439 156.5
[M+CH3COO]- 263.11004 181.5
[M+Na-2H]- 225.07086 147.8
[M]+ 204.09564 133.3
[M]- 204.09674 133.3
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.