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]+ 141.07102 124.9
[M+Na]+ 163.05296 133.6
[M-H]- 139.05646 126.8
[M+NH4]+ 158.09756 150.3
[M+K]+ 179.02690 131.3
[M+H-H2O]+ 123.06100 120.0
[M+HCOO]- 185.06194 145.3
[M+CH3COO]- 199.07759 174.1
[M+Na-2H]- 161.03841 130.5
[M]+ 140.06319 122.0
[M]- 140.06429 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.