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 139.1
[M+Na]+ 229.02714 148.4
[M-H]- 205.03064 144.7
[M+NH4]+ 224.07174 157.8
[M+K]+ 245.00108 146.5
[M+H-H2O]+ 189.03518 132.6
[M+HCOO]- 251.03612 161.7
[M+CH3COO]- 265.05177 181.4
[M+Na-2H]- 227.01259 143.6
[M]+ 206.03737 139.4
[M]- 206.03847 139.4
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