CID 619275

3-iodoisonicotinic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

126
Patents

248.92868 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.93596 135.5
[M+Na]+ 271.91790 140.4
[M+NH4]+ 266.96250 138.9
[M+K]+ 287.89184 138.6
[M-H]- 247.92140 129.8
[M+Na-2H]- 269.90335 129.2
[M]+ 248.92813 133.4
[M]- 248.92923 133.4
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