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]+ 214.051006 139.7
[M+Na]+ 236.032948 149.0
[M-H]- 212.036454 141.4
[M+NH4]+ 231.077553 157.3
[M+K]+ 252.006888 148.5
[M+H-H2O]+ 196.040990 132.3
[M+HCOO]- 258.041931 161.3
[M+CH3COO]- 272.057581 185.8
[M+Na-2H]- 234.018396 143.7
[M]+ 213.04318142 142.8
[M]- 213.04427858 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.