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 116.0
[M+Na]+ 147.02166 127.1
[M+NH4]+ 142.06626 124.0
[M+K]+ 162.99560 122.6
[M-H]- 123.02516 116.9
[M+Na-2H]- 145.00711 123.8
[M]+ 124.03189 117.8
[M]- 124.03299 117.8
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.