CID 6445616

37744-21-1

Structural Information

Molecular Formula

C₁₆H₁₂F₂N₂O₄

SMILES

C1=C(C=NC=C1F)C(=O)OC/C=C/COC(=O)C2=CC(=CN=C2)F

InChI

InChI=1S/C16H12F2N2O4/c17-13-5-11(7-19-9-13)15(21)23-3-1-2-4-24-16(22)12-6-14(18)10-20-8-12/h1-2,5-10H,3-4H2/b2-1+

InChIKey

RSPXMXIMKISAIY-OWOJBTEDSA-N

Compound name

[(E)-4-(5-fluoropyridine-3-carbonyl)oxybut-2-enyl] 5-fluoropyridine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 334.0765 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	335.083776	173.1
[M+Na]+	357.065718	180.8
[M-H]-	333.069224	174.3
[M+NH4]+	352.110323	183.5
[M+K]+	373.039658	176.6
[M+H-H2O]+	317.073760	161.4
[M+HCOO]-	379.074701	191.3
[M+CH3COO]-	393.090351	206.5
[M+Na-2H]-	355.051166	175.3
[M]+	334.07595142	174.5
[M]-	334.07704858	174.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe