CID 12535316

2-iodopyridine-3-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
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 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

literature stripe

Patent stripe

patents stripe