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]+ 125.039716 112.0
[M+Na]+ 147.021658 119.4
[M-H]- 123.025164 116.1
[M+NH4]+ 142.066263 133.1
[M+K]+ 162.995598 122.4
[M+H-H2O]+ 107.029700 107.7
[M+HCOO]- 169.030641 135.8
[M+CH3COO]- 183.046291 172.8
[M+Na-2H]- 145.007106 120.2
[M]+ 124.03189142 108.2
[M]- 124.03298858 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.