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

0
Patents

130.00662 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.01390 118.3
[M+Na]+ 152.99584 127.8
[M-H]- 128.99934 120.7
[M+NH4]+ 148.04044 140.1
[M+K]+ 168.96978 128.0
[M+H-H2O]+ 113.00388 113.2
[M+HCOO]- 175.00482 141.3
[M+CH3COO]- 189.02047 166.4
[M+Na-2H]- 150.98129 124.5
[M]+ 130.00607 118.4
[M]- 130.00717 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

No patent data available for this compound.