CID 9543392

2-(2-fluoro-5-oxo-2,5-dihydrofuran-2-yl)acetic acid

Structural Information

Molecular Formula
C6H5FO4
SMILES
C1=CC(OC1=O)(CC(=O)O)F
InChI
InChI=1S/C6H5FO4/c7-6(3-4(8)9)2-1-5(10)11-6/h1-2H,3H2,(H,8,9)
InChIKey
JWTRAEIUKUKVDW-UHFFFAOYSA-N
Compound name
2-(2-fluoro-5-oxofuran-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

160.01718 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.02446 125.1
[M+Na]+ 183.00640 134.3
[M-H]- 159.00990 127.4
[M+NH4]+ 178.05100 147.6
[M+K]+ 198.98034 134.6
[M+H-H2O]+ 143.01444 120.8
[M+HCOO]- 205.01538 146.8
[M+CH3COO]- 219.03103 170.7
[M+Na-2H]- 180.99185 131.3
[M]+ 160.01663 125.3
[M]- 160.01773 125.3
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