CID 24271792

6-iodoquinoline-2-carboxylic acid

Structural Information

Molecular Formula
C10H6INO2
SMILES
C1=CC2=C(C=CC(=N2)C(=O)O)C=C1I
InChI
InChI=1S/C10H6INO2/c11-7-2-4-8-6(5-7)1-3-9(12-8)10(13)14/h1-5H,(H,13,14)
InChIKey
KMTDQLIMBYFQLG-UHFFFAOYSA-N
Compound name
6-iodoquinoline-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.94434 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.951616 143.1
[M+Na]+ 321.933558 145.4
[M-H]- 297.937064 138.3
[M+NH4]+ 316.978163 156.9
[M+K]+ 337.907498 148.0
[M+H-H2O]+ 281.941600 133.1
[M+HCOO]- 343.942541 158.8
[M+CH3COO]- 357.958191 189.5
[M+Na-2H]- 319.919006 138.8
[M]+ 298.94379142 140.6
[M]- 298.94488858 140.6
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.