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: 23
Patents: 202.03784 Da
Monoisotopic Mass: 1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe