CID 15304159

1,4-dichloro-2,5-dinitrobenzene

Structural Information

Molecular Formula
C6H2Cl2N2O4
SMILES
C1=C(C(=CC(=C1Cl)[N+](=O)[O-])Cl)[N+](=O)[O-]
InChI
InChI=1S/C6H2Cl2N2O4/c7-3-1-5(9(11)12)4(8)2-6(3)10(13)14/h1-2H
InChIKey
QONKIWFMDAVKEU-UHFFFAOYSA-N
Compound name
1,4-dichloro-2,5-dinitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

235.93916 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.946436 146.5
[M+Na]+ 258.928378 154.7
[M-H]- 234.931884 149.3
[M+NH4]+ 253.972983 163.2
[M+K]+ 274.902318 143.7
[M+H-H2O]+ 218.936420 152.2
[M+HCOO]- 280.937361 163.6
[M+CH3COO]- 294.953011 178.5
[M+Na-2H]- 256.913826 153.5
[M]+ 235.93861142 146.9
[M]- 235.93970858 146.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe