CID 18981

3468-63-1

Structural Information

Molecular Formula

C₁₆H₁₀N₄O₅

SMILES

C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])O

InChI

InChI=1S/C16H10N4O5/c21-15-8-5-10-3-1-2-4-12(10)16(15)18-17-13-7-6-11(19(22)23)9-14(13)20(24)25/h1-9,21H

InChIKey

HBHZKFOUIUMKHV-UHFFFAOYSA-N

Compound name

1-[(2,4-dinitrophenyl)diazenyl]naphthalen-2-ol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 2
References: 12926
Patents: 338.06512 Da
Monoisotopic Mass: 4.3
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]+	339.072396	171.2
[M+Na]+	361.054338	175.8
[M-H]-	337.057844	179.8
[M+NH4]+	356.098943	182.7
[M+K]+	377.028278	164.8
[M+H-H2O]+	321.062380	170.2
[M+HCOO]-	383.063321	198.7
[M+CH3COO]-	397.078971	206.7
[M+Na-2H]-	359.039786	182.3
[M]+	338.06457142	169.1
[M]-	338.06566858	169.1

Literature stripe

literature stripe

Patent stripe

patents stripe