CID 75571

3,5-dinitrosalicylaldehyde

Structural Information

Molecular Formula

C₇H₄N₂O₆

SMILES

C1=C(C=C(C(=C1C=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C7H4N2O6/c10-3-4-1-5(8(12)13)2-6(7(4)11)9(14)15/h1-3,11H

InChIKey

FLJXIBHYDIMYRS-UHFFFAOYSA-N

Compound name

2-hydroxy-3,5-dinitrobenzaldehyde

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 310
Patents: 212.00694 Da
Monoisotopic Mass: 1.1
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]+	213.01422	143.7
[M+Na]+	234.99616	150.7
[M+NH4]+	230.04076	153.0
[M+K]+	250.97010	160.9
[M-H]-	210.99966	139.6
[M+Na-2H]-	232.98161	146.8
[M]+	212.00639	145.8
[M]-	212.00749	145.8

Literature stripe

literature stripe

Patent stripe

patents stripe