CID 137952190

2-chloro-3-fluoro-5-iodopyridine-4-carboxylic acid

Structural Information

Molecular Formula
C6H2ClFINO2
SMILES
C1=C(C(=C(C(=N1)Cl)F)C(=O)O)I
InChI
InChI=1S/C6H2ClFINO2/c7-5-4(8)3(6(11)12)2(9)1-10-5/h1H,(H,11,12)
InChIKey
COXWICAAMAQUIR-UHFFFAOYSA-N
Compound name
2-chloro-3-fluoro-5-iodopyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.88028 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.88756 136.0
[M+Na]+ 323.86950 140.3
[M-H]- 299.87300 129.9
[M+NH4]+ 318.91410 150.1
[M+K]+ 339.84344 142.4
[M+H-H2O]+ 283.87754 127.0
[M+HCOO]- 345.87848 148.0
[M+CH3COO]- 359.89413 187.8
[M+Na-2H]- 321.85495 129.1
[M]+ 300.87973 134.6
[M]- 300.88083 134.6
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.