CID 130769200

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

Structural Information

Molecular Formula
C6H3FINO2
SMILES
C1=C(C(=C(C=N1)I)C(=O)O)F
InChI
InChI=1S/C6H3FINO2/c7-3-1-9-2-4(8)5(3)6(10)11/h1-2H,(H,10,11)
InChIKey
KRZIRDMXYUOKRN-UHFFFAOYSA-N
Compound name
3-fluoro-5-iodopyridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.91925 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.92653 134.6
[M+Na]+ 289.90847 137.2
[M-H]- 265.91197 128.2
[M+NH4]+ 284.95307 148.7
[M+K]+ 305.88241 141.1
[M+H-H2O]+ 249.91651 124.5
[M+HCOO]- 311.91745 150.7
[M+CH3COO]- 325.93310 183.0
[M+Na-2H]- 287.89392 128.3
[M]+ 266.91870 130.8
[M]- 266.91980 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.