CID 136576239

9,9-difluoro-1,4-dioxaspiro[4.6]undecan-8-one

Structural Information

Molecular Formula
C9H12F2O3
SMILES
C1CC2(CCC(C1=O)(F)F)OCCO2
InChI
InChI=1S/C9H12F2O3/c10-9(11)4-3-8(2-1-7(9)12)13-5-6-14-8/h1-6H2
InChIKey
TXZJPVNETOOWJF-UHFFFAOYSA-N
Compound name
8,8-difluoro-1,4-dioxaspiro[4.6]undecan-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.07545 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.08273 132.1
[M+Na]+ 229.06467 137.6
[M-H]- 205.06817 137.1
[M+NH4]+ 224.10927 152.4
[M+K]+ 245.03861 140.4
[M+H-H2O]+ 189.07271 126.5
[M+HCOO]- 251.07365 147.8
[M+CH3COO]- 265.08930 182.3
[M+Na-2H]- 227.05012 138.2
[M]+ 206.07490 124.3
[M]- 206.07600 124.3
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.