CID 155819747

3-fluorobicyclo[3.2.1]oct-3-en-2-one

Structural Information

Molecular Formula
C8H9FO
SMILES
C1CC2CC1C=C(C2=O)F
InChI
InChI=1S/C8H9FO/c9-7-4-5-1-2-6(3-5)8(7)10/h4-6H,1-3H2
InChIKey
BGOPONHALHQMFF-UHFFFAOYSA-N
Compound name
3-fluorobicyclo[3.2.1]oct-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.06374 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.071016 124.9
[M+Na]+ 163.052958 133.6
[M-H]- 139.056464 126.8
[M+NH4]+ 158.097563 150.3
[M+K]+ 179.026898 131.3
[M+H-H2O]+ 123.061000 120.0
[M+HCOO]- 185.061941 145.3
[M+CH3COO]- 199.077591 174.1
[M+Na-2H]- 161.038406 130.5
[M]+ 140.06319142 122.0
[M]- 140.06428858 122.0
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.