CID 738991

5-(4-fluorophenyl)furan-2-carboxylic acid

Structural Information

Molecular Formula
C11H7FO3
SMILES
C1=CC(=CC=C1C2=CC=C(O2)C(=O)O)F
InChI
InChI=1S/C11H7FO3/c12-8-3-1-7(2-4-8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14)
InChIKey
CEPXYOAURAQQGM-UHFFFAOYSA-N
Compound name
5-(4-fluorophenyl)furan-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

73
Patents

206.03792 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.045196 139.1
[M+Na]+ 229.027138 148.4
[M-H]- 205.030644 144.7
[M+NH4]+ 224.071743 157.8
[M+K]+ 245.001078 146.5
[M+H-H2O]+ 189.035180 132.6
[M+HCOO]- 251.036121 161.7
[M+CH3COO]- 265.051771 181.4
[M+Na-2H]- 227.012586 143.6
[M]+ 206.03737142 139.4
[M]- 206.03846858 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