CID 245295

5,7-dinitro-8-quinolinol

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 143.8
[M+Na]+ 258.01214 151.0
[M-H]- 234.01564 146.5
[M+NH4]+ 253.05674 158.4
[M+K]+ 273.98608 140.5
[M+H-H2O]+ 218.02018 145.8
[M+HCOO]- 280.02112 166.9
[M+CH3COO]- 294.03677 178.3
[M+Na-2H]- 255.99759 155.4
[M]+ 235.02237 140.9
[M]- 235.02347 140.9
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