CID 177801989

2,2-difluorospiro[3.4]octan-5-one

Structural Information

Molecular Formula
C8H10F2O
SMILES
C1CC(=O)C2(C1)CC(C2)(F)F
InChI
InChI=1S/C8H10F2O/c9-8(10)4-7(5-8)3-1-2-6(7)11/h1-5H2
InChIKey
VBPKEQNWYRHHRZ-UHFFFAOYSA-N
Compound name
2,2-difluorospiro[3.4]octan-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.06998 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.077256 127.6
[M+Na]+ 183.059198 135.5
[M-H]- 159.062704 131.5
[M+NH4]+ 178.103803 148.0
[M+K]+ 199.033138 135.9
[M+H-H2O]+ 143.067240 118.9
[M+HCOO]- 205.068181 147.0
[M+CH3COO]- 219.083831 178.3
[M+Na-2H]- 181.044646 132.8
[M]+ 160.06943142 131.1
[M]- 160.07052858 131.1
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.