CID 12793044

2-fluorocyclohepta-2,4,6-trien-1-one

Structural Information

Molecular Formula
C7H5FO
SMILES
C1=CC=C(C(=O)C=C1)F
InChI
InChI=1S/C7H5FO/c8-6-4-2-1-3-5-7(6)9/h1-5H
InChIKey
QBHNDVMIBNXFLX-UHFFFAOYSA-N
Compound name
2-fluorocyclohepta-2,4,6-trien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

124.03244 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.03972 112.0
[M+Na]+ 147.02166 119.4
[M-H]- 123.02516 116.1
[M+NH4]+ 142.06626 133.1
[M+K]+ 162.99560 122.4
[M+H-H2O]+ 107.02970 107.7
[M+HCOO]- 169.03064 135.8
[M+CH3COO]- 183.04629 172.8
[M+Na-2H]- 145.00711 120.2
[M]+ 124.03189 108.2
[M]- 124.03299 108.2
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.