CID 819062

6-iodopyridine-3-carboxylic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

250
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

literature stripe

Patent stripe

patents stripe