CID 5955

4-nitroquinoline n-oxide

Structural Information

Molecular Formula
C9H6N2O3
SMILES
C1=CC=C2C(=C1)C(=CC=[N+]2[O-])[N+](=O)[O-]
InChI
InChI=1S/C9H6N2O3/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6H
InChIKey
YHQDZJICGQWFHK-UHFFFAOYSA-N
Compound name
4-nitro-1-oxidoquinolin-1-ium
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1544
References

2477
Patents

190.03784 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.04512 138.5
[M+Na]+ 213.02706 155.2
[M+NH4]+ 208.07166 147.7
[M+K]+ 229.00100 152.6
[M-H]- 189.03056 143.4
[M+Na-2H]- 211.01251 145.7
[M]+ 190.03729 142.2
[M]- 190.03839 142.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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