CID 14530245

2-iodoisonicotinic acid

Structural Information

Molecular Formula
C6H4INO2
SMILES
C1=CN=C(C=C1C(=O)O)I
InChI
InChI=1S/C6H4INO2/c7-5-3-4(6(9)10)1-2-8-5/h1-3H,(H,9,10)
InChIKey
FALCXGCLOUKBSP-UHFFFAOYSA-N
Compound name
2-iodopyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

248.92868 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.935956 133.9
[M+Na]+ 271.917898 135.6
[M-H]- 247.921404 128.4
[M+NH4]+ 266.962503 148.5
[M+K]+ 287.891838 139.9
[M+H-H2O]+ 231.925940 124.4
[M+HCOO]- 293.926881 150.9
[M+CH3COO]- 307.942531 179.4
[M+Na-2H]- 269.903346 128.7
[M]+ 248.92813142 130.8
[M]- 248.92922858 130.8
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

patents stripe