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

74
Patents

248.92868 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.93596 133.9
[M+Na]+ 271.91790 135.6
[M-H]- 247.92140 128.4
[M+NH4]+ 266.96250 148.5
[M+K]+ 287.89184 139.9
[M+H-H2O]+ 231.92594 124.4
[M+HCOO]- 293.92688 150.9
[M+CH3COO]- 307.94253 179.4
[M+Na-2H]- 269.90335 128.7
[M]+ 248.92813 130.8
[M]- 248.92923 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