CID 2788

Clioquinol

Structural Information

Molecular Formula
C9H5ClINO
SMILES
C1=CC2=C(C(=C(C=C2Cl)I)O)N=C1
InChI
InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
InChIKey
QCDFBFJGMNKBDO-UHFFFAOYSA-N
Compound name
5-chloro-7-iodoquinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

1237
References

18388
Patents

304.91043 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.917706 138.7
[M+Na]+ 327.899648 143.2
[M-H]- 303.903154 134.2
[M+NH4]+ 322.944253 153.6
[M+K]+ 343.873588 144.0
[M+H-H2O]+ 287.907690 129.9
[M+HCOO]- 349.908631 151.1
[M+CH3COO]- 363.924281 148.3
[M+Na-2H]- 325.885096 135.3
[M]+ 304.90988142 138.1
[M]- 304.91097858 138.1
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