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

18292
Patents

304.91043 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.91771 138.7
[M+Na]+ 327.89965 143.2
[M-H]- 303.90315 134.2
[M+NH4]+ 322.94425 153.6
[M+K]+ 343.87359 144.0
[M+H-H2O]+ 287.90769 129.9
[M+HCOO]- 349.90863 151.1
[M+CH3COO]- 363.92428 148.3
[M+Na-2H]- 325.88510 135.3
[M]+ 304.90988 138.1
[M]- 304.91098 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.