CID 155822021

6,6-difluorospiro[3.3]heptan-1-one

Structural Information

Molecular Formula
C7H8F2O
SMILES
C1CC2(C1=O)CC(C2)(F)F
InChI
InChI=1S/C7H8F2O/c8-7(9)3-6(4-7)2-1-5(6)10/h1-4H2
InChIKey
MCHFEYMVSVMNDV-UHFFFAOYSA-N
Compound name
2,2-difluorospiro[3.3]heptan-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.05432 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.061596 121.1
[M+Na]+ 169.043538 128.3
[M-H]- 145.047044 125.3
[M+NH4]+ 164.088143 133.3
[M+K]+ 185.017478 131.8
[M+H-H2O]+ 129.051580 109.4
[M+HCOO]- 191.052521 138.7
[M+CH3COO]- 205.068171 187.1
[M+Na-2H]- 167.028986 127.9
[M]+ 146.05377142 134.0
[M]- 146.05486858 134.0
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.