CID 165993047

2,6-dimethyl 4-fluoropyridine-2,6-dicarboxylate

Structural Information

Molecular Formula
C9H8FNO4
SMILES
COC(=O)C1=CC(=CC(=N1)C(=O)OC)F
InChI
InChI=1S/C9H8FNO4/c1-14-8(12)6-3-5(10)4-7(11-6)9(13)15-2/h3-4H,1-2H3
InChIKey
IPYDGBXIXVOWPB-UHFFFAOYSA-N
Compound name
dimethyl 4-fluoropyridine-2,6-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.04373 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.05101 139.7
[M+Na]+ 236.03295 149.0
[M-H]- 212.03645 141.4
[M+NH4]+ 231.07755 157.3
[M+K]+ 252.00689 148.5
[M+H-H2O]+ 196.04099 132.3
[M+HCOO]- 258.04193 161.3
[M+CH3COO]- 272.05758 185.8
[M+Na-2H]- 234.01840 143.7
[M]+ 213.04318 142.8
[M]- 213.04428 142.8
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.