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]+ 203.045116 137.8
[M+Na]+ 225.027058 146.7
[M-H]- 201.030564 141.7
[M+NH4]+ 220.071663 155.9
[M+K]+ 241.000998 139.9
[M+H-H2O]+ 185.035100 135.5
[M+HCOO]- 247.036041 162.2
[M+CH3COO]- 261.051691 179.2
[M+Na-2H]- 223.012506 148.6
[M]+ 202.03729142 137.7
[M]- 202.03838858 137.7
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.