CID 146082145

2306275-03-4

Structural Information

Molecular Formula
C6H6F2O
SMILES
C1C(=O)CC12CC2(F)F
InChI
InChI=1S/C6H6F2O/c7-6(8)3-5(6)1-4(9)2-5/h1-3H2
InChIKey
DOFBMXCLMFITBD-UHFFFAOYSA-N
Compound name
2,2-difluorospiro[2.3]hexan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

132.03867 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.04595 120.6
[M+Na]+ 155.02789 131.4
[M-H]- 131.03139 126.1
[M+NH4]+ 150.07249 136.0
[M+K]+ 171.00183 133.0
[M+H-H2O]+ 115.03593 112.1
[M+HCOO]- 177.03687 140.7
[M+CH3COO]- 191.05252 178.3
[M+Na-2H]- 153.01334 128.8
[M]+ 132.03812 128.9
[M]- 132.03922 128.9
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.