CID 5127426

3-fluorodibenzofuran

Structural Information

Molecular Formula
C12H7FO
SMILES
C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)F
InChI
InChI=1S/C12H7FO/c13-8-5-6-10-9-3-1-2-4-11(9)14-12(10)7-8/h1-7H
InChIKey
CBVHWGKANITCQP-UHFFFAOYSA-N
Compound name
3-fluorodibenzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

31
Patents

186.0481 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05538 132.5
[M+Na]+ 209.03732 144.8
[M-H]- 185.04082 138.6
[M+NH4]+ 204.08192 155.5
[M+K]+ 225.01126 141.5
[M+H-H2O]+ 169.04536 126.6
[M+HCOO]- 231.04630 156.5
[M+CH3COO]- 245.06195 148.1
[M+Na-2H]- 207.02277 142.5
[M]+ 186.04755 135.1
[M]- 186.04865 135.1
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

patents stripe