CID 130131352

3-fluoro-4-(hydroxymethyl)-2,5-dihydrofuran-2-one

Structural Information

Molecular Formula
C5H5FO3
SMILES
C1C(=C(C(=O)O1)F)CO
InChI
InChI=1S/C5H5FO3/c6-4-3(1-7)2-9-5(4)8/h7H,1-2H2
InChIKey
NDVYJERRIYUQAY-UHFFFAOYSA-N
Compound name
4-fluoro-3-(hydroxymethyl)-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

132.02228 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.02956 119.1
[M+Na]+ 155.01150 128.8
[M-H]- 131.01500 121.4
[M+NH4]+ 150.05610 141.2
[M+K]+ 170.98544 128.7
[M+H-H2O]+ 115.01954 114.2
[M+HCOO]- 177.02048 141.6
[M+CH3COO]- 191.03613 167.1
[M+Na-2H]- 152.99695 125.0
[M]+ 132.02173 118.8
[M]- 132.02283 118.8
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.