CID 736322

5-(2-fluorophenyl)furan-2-carboxylic acid

Structural Information

Molecular Formula
C11H7FO3
SMILES
C1=CC=C(C(=C1)C2=CC=C(O2)C(=O)O)F
InChI
InChI=1S/C11H7FO3/c12-8-4-2-1-3-7(8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14)
InChIKey
GRMHOKHCKXBRIB-UHFFFAOYSA-N
Compound name
5-(2-fluorophenyl)furan-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

14
Patents

206.03792 Da
Monoisotopic Mass

2.6
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

literature stripe

Patent stripe

patents stripe