CID 130840578

Methyl 2-fluoro-3-iodopyridine-4-carboxylate

Structural Information

Molecular Formula
C7H5FINO2
SMILES
COC(=O)C1=C(C(=NC=C1)F)I
InChI
InChI=1S/C7H5FINO2/c1-12-7(11)4-2-3-10-6(8)5(4)9/h2-3H,1H3
InChIKey
OOSQOTHFKZJWLD-UHFFFAOYSA-N
Compound name
methyl 2-fluoro-3-iodopyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.9349 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.94218 137.8
[M+Na]+ 303.92412 140.5
[M-H]- 279.92762 132.5
[M+NH4]+ 298.96872 152.2
[M+K]+ 319.89806 145.0
[M+H-H2O]+ 263.93216 127.3
[M+HCOO]- 325.93310 155.0
[M+CH3COO]- 339.94875 187.7
[M+Na-2H]- 301.90957 131.6
[M]+ 280.93435 136.1
[M]- 280.93545 136.1
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.