CID 485664

2,5-dichloroquinolin-8-ol

Structural Information

Molecular Formula
C9H5Cl2NO
SMILES
C1=CC(=NC2=C(C=CC(=C21)Cl)O)Cl
InChI
InChI=1S/C9H5Cl2NO/c10-6-2-3-7(13)9-5(6)1-4-8(11)12-9/h1-4,13H
InChIKey
QZWOMXOWXIOAOI-UHFFFAOYSA-N
Compound name
2,5-dichloroquinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

212.97482 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.98210 136.8
[M+Na]+ 235.96404 149.1
[M-H]- 211.96754 138.7
[M+NH4]+ 231.00864 156.5
[M+K]+ 251.93798 142.9
[M+H-H2O]+ 195.97208 132.4
[M+HCOO]- 257.97302 148.9
[M+CH3COO]- 271.98867 150.3
[M+Na-2H]- 233.94949 144.5
[M]+ 212.97427 139.8
[M]- 212.97537 139.8
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