CID 22764

3,4'-dinitrobiphenyl

Structural Information

Molecular Formula

C₁₂H₈N₂O₄

SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H8N2O4/c15-13(16)11-6-4-9(5-7-11)10-2-1-3-12(8-10)14(17)18/h1-8H

InChIKey

LTPDHLOPQDBSOL-UHFFFAOYSA-N

Compound name

1-nitro-3-(4-nitrophenyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 27
Patents: 244.0484 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]+	245.05568	153.9
[M+Na]+	267.03762	169.5
[M+NH4]+	262.08222	162.1
[M+K]+	283.01156	167.4
[M-H]-	243.04112	160.8
[M+Na-2H]-	265.02307	162.6
[M]+	244.04785	158.0
[M]-	244.04895	158.0

Literature stripe

literature stripe

Patent stripe

patents stripe