CID 19874616

3-(4-fluorophenyl)furan-2-carboxylic acid

Structural Information

Molecular Formula
C11H7FO3
SMILES
C1=CC(=CC=C1C2=C(OC=C2)C(=O)O)F
InChI
InChI=1S/C11H7FO3/c12-8-3-1-7(2-4-8)9-5-6-15-10(9)11(13)14/h1-6H,(H,13,14)
InChIKey
AAKFSKGDIRKILO-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)furan-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
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

No literature data available for this compound.

Patent stripe

patents stripe