CID 80565

1,2-dichloro-4,5-dinitrobenzene

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

269
Patents

235.93916 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.94644 146.5
[M+Na]+ 258.92838 154.7
[M-H]- 234.93188 149.3
[M+NH4]+ 253.97298 163.2
[M+K]+ 274.90232 143.7
[M+H-H2O]+ 218.93642 152.2
[M+HCOO]- 280.93736 163.6
[M+CH3COO]- 294.95301 178.5
[M+Na-2H]- 256.91383 153.5
[M]+ 235.93861 146.9
[M]- 235.93971 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.