CID 71433186

6-chloro-4-iodopyridine-3-carboxylic acid

Structural Information

Molecular Formula
C6H3ClINO2
SMILES
C1=C(C(=CN=C1Cl)C(=O)O)I
InChI
InChI=1S/C6H3ClINO2/c7-5-1-4(8)3(2-9-5)6(10)11/h1-2H,(H,10,11)
InChIKey
QFFFXLLUGUHIHH-UHFFFAOYSA-N
Compound name
6-chloro-4-iodopyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

282.8897 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.89698 139.0
[M+Na]+ 305.87892 145.0
[M+NH4]+ 300.92352 142.6
[M+K]+ 321.85286 142.7
[M-H]- 281.88242 133.4
[M+Na-2H]- 303.86437 132.8
[M]+ 282.88915 137.4
[M]- 282.89025 137.4
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