CID 18097

2973-15-1

Structural Information

Molecular Formula

C₁₀H₆N₂O₄

SMILES

C1=CC=C(C(=C1)N2C(=O)C=CC2=O)[N+](=O)[O-]

InChI

InChI=1S/C10H6N2O4/c13-9-5-6-10(14)11(9)7-3-1-2-4-8(7)12(15)16/h1-6H

InChIKey

SCXAYTWCHGRQPA-UHFFFAOYSA-N

Compound name

1-(2-nitrophenyl)pyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 369
Patents: 218.03276 Da
Monoisotopic Mass: 0.7
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]+	219.04004	143.2
[M+Na]+	241.02198	156.4
[M+NH4]+	236.06658	150.3
[M+K]+	256.99592	155.5
[M-H]-	217.02548	146.5
[M+Na-2H]-	239.00743	149.6
[M]+	218.03221	145.7
[M]-	218.03331	145.7

Literature stripe

literature stripe

Patent stripe

patents stripe