CID 245295

5,7-dinitroquinolin-8-ol

Structural Information

Molecular Formula
C9H5N3O5
SMILES
C1=CC2=C(C(=C(C=C2[N+](=O)[O-])[N+](=O)[O-])O)N=C1
InChI
InChI=1S/C9H5N3O5/c13-9-7(12(16)17)4-6(11(14)15)5-2-1-3-10-8(5)9/h1-4,13H
InChIKey
YPEUTQKEMPFPKO-UHFFFAOYSA-N
Compound name
5,7-dinitroquinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

13
Patents

235.02292 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.03020 146.9
[M+Na]+ 258.01214 161.3
[M+NH4]+ 253.05674 153.9
[M+K]+ 273.98608 161.1
[M-H]- 234.01564 150.5
[M+Na-2H]- 255.99759 152.2
[M]+ 235.02237 149.6
[M]- 235.02347 149.6
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