CID 417492

7-amino-5-iodo-8-quinolinol

Structural Information

Molecular Formula
C9H7IN2O
SMILES
C1=CC2=C(C=C(C(=C2N=C1)O)N)I
InChI
InChI=1S/C9H7IN2O/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H,11H2
InChIKey
JJCLLNDLDHJDRA-UHFFFAOYSA-N
Compound name
7-amino-5-iodoquinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

285.9603 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.96758 143.7
[M+Na]+ 308.94952 146.5
[M-H]- 284.95302 138.9
[M+NH4]+ 303.99412 157.9
[M+K]+ 324.92346 148.6
[M+H-H2O]+ 268.95756 133.8
[M+HCOO]- 330.95850 160.6
[M+CH3COO]- 344.97415 189.9
[M+Na-2H]- 306.93497 139.4
[M]+ 285.95975 139.5
[M]- 285.96085 139.5
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