CID 11788322

5-fluoro-1-benzofuran

Structural Information

Molecular Formula
C8H5FO
SMILES
C1=CC2=C(C=CO2)C=C1F
InChI
InChI=1S/C8H5FO/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5H
InChIKey
FTVHMXRCGNWCOL-UHFFFAOYSA-N
Compound name
5-fluoro-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

540
Patents

136.03244 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.03972 118.8
[M+Na]+ 159.02166 130.3
[M-H]- 135.02516 123.8
[M+NH4]+ 154.06626 142.7
[M+K]+ 174.99560 128.9
[M+H-H2O]+ 119.02970 113.4
[M+HCOO]- 181.03064 144.2
[M+CH3COO]- 195.04629 135.1
[M+Na-2H]- 157.00711 129.0
[M]+ 136.03189 120.8
[M]- 136.03299 120.8
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