CID 11802

Martius yellow

Structural Information

Molecular Formula

C₁₀H₆N₂O₅

SMILES

C1=CC=C2C(=C1)C(=CC(=C2O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H6N2O5/c13-10-7-4-2-1-3-6(7)8(11(14)15)5-9(10)12(16)17/h1-5,13H

InChIKey

FFRBMBIXVSCUFS-UHFFFAOYSA-N

Compound name

2,4-dinitronaphthalen-1-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 6
References: 32153
Patents: 234.02766 Da
Monoisotopic Mass: 3.7
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]+	235.03494	147.8
[M+Na]+	257.01688	162.3
[M+NH4]+	252.06148	155.6
[M+K]+	272.99082	161.6
[M-H]-	233.02038	152.3
[M+Na-2H]-	255.00233	153.3
[M]+	234.02711	150.9
[M]-	234.02821	150.9

Literature stripe

literature stripe

Patent stripe

patents stripe