CID 5367495

1019-57-4

Structural Information

Molecular Formula

C₈H₈N₄O₄

SMILES

C/C=N/NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C8H8N4O4/c1-2-9-10-7-4-3-6(11(13)14)5-8(7)12(15)16/h2-5,10H,1H3/b9-2+

InChIKey

ONBOQRNOMHHDFB-XNWCZRBMSA-N

Compound name

N-[(E)-ethylideneamino]-2,4-dinitroaniline

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 58
Patents: 224.05455 Da
Monoisotopic Mass: 0.8
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]+	225.06183	158.1
[M+Na]+	247.04377	164.0
[M+NH4]+	242.08837	166.5
[M+K]+	263.01771	173.2
[M-H]-	223.04727	153.2
[M+Na-2H]-	245.02922	153.6
[M]+	224.05400	159.5
[M]-	224.05510	159.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.