CID 719683

302949-02-6

Structural Information

Molecular Formula
C10H6INO3
SMILES
C1=CC2=C(C=C1I)C(=O)C(=CN2)C(=O)O
InChI
InChI=1S/C10H6INO3/c11-5-1-2-8-6(3-5)9(13)7(4-12-8)10(14)15/h1-4H,(H,12,13)(H,14,15)
InChIKey
MPPGVYGQCYVNRZ-UHFFFAOYSA-N
Compound name
6-iodo-4-oxo-1H-quinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

90
Patents

314.93924 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.94652 146.9
[M+Na]+ 337.92846 149.7
[M-H]- 313.93196 141.2
[M+NH4]+ 332.97306 159.5
[M+K]+ 353.90240 151.6
[M+H-H2O]+ 297.93650 137.2
[M+HCOO]- 359.93744 161.4
[M+CH3COO]- 373.95309 189.7
[M+Na-2H]- 335.91391 141.3
[M]+ 314.93869 143.7
[M]- 314.93979 143.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe