CID 21363887

5-fluorofuran-2-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

130.00662 Da
Monoisotopic Mass

1.3
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

literature stripe

Patent stripe

patents stripe