CID 63948526

5-fluoro-2-(furan-3-yl)benzoic acid

Structural Information

Molecular Formula
C11H7FO3
SMILES
C1=CC(=C(C=C1F)C(=O)O)C2=COC=C2
InChI
InChI=1S/C11H7FO3/c12-8-1-2-9(7-3-4-15-6-7)10(5-8)11(13)14/h1-6H,(H,13,14)
InChIKey
HBGKWFINXLTIAP-UHFFFAOYSA-N
Compound name
5-fluoro-2-(furan-3-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

206.03792 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.04520 142.9
[M+Na]+ 229.02714 155.3
[M+NH4]+ 224.07174 150.3
[M+K]+ 245.00108 151.8
[M-H]- 205.03064 145.5
[M+Na-2H]- 227.01259 149.2
[M]+ 206.03737 145.2
[M]- 206.03847 145.2
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

patents stripe