CID 11769554

8-nitro-7-quinolinecarboxaldehyde

Structural Information

Molecular Formula
C10H6N2O3
SMILES
C1=CC2=C(C(=C(C=C2)C=O)[N+](=O)[O-])N=C1
InChI
InChI=1S/C10H6N2O3/c13-6-8-4-3-7-2-1-5-11-9(7)10(8)12(14)15/h1-6H
InChIKey
CGYVBVWBGRTQJQ-UHFFFAOYSA-N
Compound name
8-nitroquinoline-7-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
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 137.8
[M+Na]+ 225.02706 146.7
[M-H]- 201.03056 141.7
[M+NH4]+ 220.07166 155.9
[M+K]+ 241.00100 139.9
[M+H-H2O]+ 185.03510 135.5
[M+HCOO]- 247.03604 162.2
[M+CH3COO]- 261.05169 179.2
[M+Na-2H]- 223.01251 148.6
[M]+ 202.03729 137.7
[M]- 202.03839 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

patents stripe