CID 260645

5-chloro-7-nitro-8-quinolinol

Structural Information

Molecular Formula
C9H5ClN2O3
SMILES
C1=CC2=C(C=C(C(=C2N=C1)O)[N+](=O)[O-])Cl
InChI
InChI=1S/C9H5ClN2O3/c10-6-4-7(12(14)15)9(13)8-5(6)2-1-3-11-8/h1-4,13H
InChIKey
YMZCBKSIFLQQEM-UHFFFAOYSA-N
Compound name
5-chloro-7-nitroquinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

47
Patents

223.99887 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.006146 140.5
[M+Na]+ 246.988088 150.4
[M-H]- 222.991594 143.0
[M+NH4]+ 242.032693 158.1
[M+K]+ 262.962028 142.1
[M+H-H2O]+ 206.996130 139.7
[M+HCOO]- 268.997071 158.8
[M+CH3COO]- 283.012721 179.4
[M+Na-2H]- 244.973536 150.1
[M]+ 223.99832142 141.4
[M]- 223.99941858 141.4
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