CID 11043

547-91-1

Structural Information

Molecular Formula

C₉H₆INO₄S

SMILES

C1=CC2=C(C(=C(C=C2S(=O)(=O)O)I)O)N=C1

InChI

InChI=1S/C9H6INO4S/c10-6-4-7(16(13,14)15)5-2-1-3-11-8(5)9(6)12/h1-4,12H,(H,13,14,15)

InChIKey

ZBJWWKFMHOAPNS-UHFFFAOYSA-N

Compound name

8-hydroxy-7-iodoquinoline-5-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 104
References: 4690
Patents: 350.90622 Da
Monoisotopic Mass: 1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	351.91350	162.0
[M+Na]+	373.89544	166.7
[M+NH4]+	368.94004	164.5
[M+K]+	389.86938	163.6
[M-H]-	349.89894	155.6
[M+Na-2H]-	371.88089	153.8
[M]+	350.90567	160.2
[M]-	350.90677	160.2

Literature stripe

literature stripe

Patent stripe

patents stripe