CID 77286

1,3-dichloro-4,6-dinitrobenzene

Structural Information

Molecular Formula

C₆H₂Cl₂N₂O₄

SMILES

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

InChI

InChI=1S/C6H2Cl2N2O4/c7-3-1-4(8)6(10(13)14)2-5(3)9(11)12/h1-2H

InChIKey

ZPXDNSYFDIHPOJ-UHFFFAOYSA-N

Compound name

1,5-dichloro-2,4-dinitrobenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 624
Patents: 235.93916 Da
Monoisotopic Mass: 2.7
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]+	236.94644	144.5
[M+Na]+	258.92838	160.0
[M+NH4]+	253.97298	152.8
[M+K]+	274.90232	158.2
[M-H]-	234.93188	148.6
[M+Na-2H]-	256.91383	150.4
[M]+	235.93861	148.3
[M]-	235.93971	148.3

Literature stripe

literature stripe

Patent stripe

patents stripe