CID 84013420

3-fluorofuran-2-carboxylic acid

Structural Information

Molecular Formula
C5H3FO3
SMILES
C1=COC(=C1F)C(=O)O
InChI
InChI=1S/C5H3FO3/c6-3-1-2-9-4(3)5(7)8/h1-2H,(H,7,8)
InChIKey
MDBMVGOLZGLUOW-UHFFFAOYSA-N
Compound name
3-fluorofuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

130.00662 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.013896 118.3
[M+Na]+ 152.995838 127.8
[M-H]- 128.999344 120.7
[M+NH4]+ 148.040443 140.1
[M+K]+ 168.969778 128.0
[M+H-H2O]+ 113.003880 113.2
[M+HCOO]- 175.004821 141.3
[M+CH3COO]- 189.020471 166.4
[M+Na-2H]- 150.981286 124.5
[M]+ 130.00607142 118.4
[M]- 130.00716858 118.4
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