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]+ 299.95162 143.1
[M+Na]+ 321.93356 145.4
[M-H]- 297.93706 138.3
[M+NH4]+ 316.97816 156.9
[M+K]+ 337.90750 148.0
[M+H-H2O]+ 281.94160 133.1
[M+HCOO]- 343.94254 158.8
[M+CH3COO]- 357.95819 189.5
[M+Na-2H]- 319.91901 138.8
[M]+ 298.94379 140.6
[M]- 298.94489 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.