CID 130031036

6-fluoro-8,9-dihydro-5h-benzo[7]annulen-5-one

Structural Information

Molecular Formula
C11H9FO
SMILES
C1CC2=CC=CC=C2C(=O)C(=C1)F
InChI
InChI=1S/C11H9FO/c12-10-7-3-5-8-4-1-2-6-9(8)11(10)13/h1-2,4,6-7H,3,5H2
InChIKey
JJAKWNFBACEECQ-UHFFFAOYSA-N
Compound name
6-fluoro-8,9-dihydrobenzo[7]annulen-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.06374 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.07102 127.9
[M+Na]+ 199.05296 135.5
[M-H]- 175.05646 132.8
[M+NH4]+ 194.09756 148.2
[M+K]+ 215.02690 136.5
[M+H-H2O]+ 159.06100 123.5
[M+HCOO]- 221.06194 149.2
[M+CH3COO]- 235.07759 141.6
[M+Na-2H]- 197.03841 135.4
[M]+ 176.06319 123.5
[M]- 176.06429 123.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.