CID 146000016

5-ethynyl-3-[4-fluoro-5-(hydroxymethyl)tetrahydrofuran-2-yl]-3h-pyridine-2,6-dione

Structural Information

Molecular Formula
C12H12FNO4
SMILES
C#CC1=CC(C(=O)NC1=O)C2CC(C(O2)CO)F
InChI
InChI=1S/C12H12FNO4/c1-2-6-3-7(12(17)14-11(6)16)9-4-8(13)10(5-15)18-9/h1,3,7-10,15H,4-5H2,(H,14,16,17)
InChIKey
BBQMTXJBWXQTRV-UHFFFAOYSA-N
Compound name
5-ethynyl-3-[4-fluoro-5-(hydroxymethyl)oxolan-2-yl]-3H-pyridine-2,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.07504 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.08232 150.0
[M+Na]+ 276.06426 160.1
[M-H]- 252.06776 150.3
[M+NH4]+ 271.10886 163.2
[M+K]+ 292.03820 155.2
[M+H-H2O]+ 236.07230 137.2
[M+HCOO]- 298.07324 160.0
[M+CH3COO]- 312.08889 196.2
[M+Na-2H]- 274.04971 148.7
[M]+ 253.07449 140.5
[M]- 253.07559 140.5
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.