CID 56773871

7-chloro-8-iodoimidazo[1,2-a]pyridine-2-carboxylic acid

Structural Information

Molecular Formula
C8H4ClIN2O2
SMILES
C1=CN2C=C(N=C2C(=C1Cl)I)C(=O)O
InChI
InChI=1S/C8H4ClIN2O2/c9-4-1-2-12-3-5(8(13)14)11-7(12)6(4)10/h1-3H,(H,13,14)
InChIKey
OHVUNVWTDIQYQL-UHFFFAOYSA-N
Compound name
7-chloro-8-iodoimidazo[1,2-a]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.9006 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.90788 141.0
[M+Na]+ 344.88982 146.6
[M-H]- 320.89332 135.9
[M+NH4]+ 339.93442 155.6
[M+K]+ 360.86376 147.9
[M+H-H2O]+ 304.89786 131.8
[M+HCOO]- 366.89880 153.9
[M+CH3COO]- 380.91445 190.8
[M+Na-2H]- 342.87527 135.4
[M]+ 321.90005 142.7
[M]- 321.90115 142.7
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

No patent data available for this compound.