CID 18847884

5-nitroquinoline-8-carbaldehyde

Structural Information

Molecular Formula
C10H6N2O3
SMILES
C1=CC2=C(C=CC(=C2N=C1)C=O)[N+](=O)[O-]
InChI
InChI=1S/C10H6N2O3/c13-6-7-3-4-9(12(14)15)8-2-1-5-11-10(7)8/h1-6H
InChIKey
OADWZRGEFPVNSY-UHFFFAOYSA-N
Compound name
5-nitroquinoline-8-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.03784 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.04512 137.7
[M+Na]+ 225.02706 153.1
[M+NH4]+ 220.07166 146.2
[M+K]+ 241.00100 148.8
[M-H]- 201.03056 141.3
[M+Na-2H]- 223.01251 145.2
[M]+ 202.03729 140.8
[M]- 202.03839 140.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.