CID 417490

8-quinolinol, 7-amino-5-chloro-, hydrochloride

Structural Information

Molecular Formula
C9H7ClN2O
SMILES
C1=CC2=C(C=C(C(=C2N=C1)O)N)Cl
InChI
InChI=1S/C9H7ClN2O/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H,11H2
InChIKey
MAHRZBYJYLDQAY-UHFFFAOYSA-N
Compound name
7-amino-5-chloroquinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

31
Patents

194.02469 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.031966 136.6
[M+Na]+ 217.013908 147.8
[M-H]- 193.017414 138.8
[M+NH4]+ 212.058513 156.1
[M+K]+ 232.987848 142.4
[M+H-H2O]+ 177.021950 131.3
[M+HCOO]- 239.022891 154.3
[M+CH3COO]- 253.038541 150.1
[M+Na-2H]- 214.999356 144.4
[M]+ 194.02414142 137.0
[M]- 194.02523858 137.0
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