CID 6

1-chloro-2,4-dinitrobenzene

Structural Information

Molecular Formula
C6H3ClN2O4
SMILES
C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl
InChI
InChI=1S/C6H3ClN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H
InChIKey
VYZAHLCBVHPDDF-UHFFFAOYSA-N
Compound name
1-chloro-2,4-dinitrobenzene
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

3361
References

14924
Patents

201.97813 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.98541 138.3
[M+Na]+ 224.96735 153.2
[M+NH4]+ 220.01195 146.6
[M+K]+ 240.94129 152.0
[M-H]- 200.97085 142.7
[M+Na-2H]- 222.95280 144.6
[M]+ 201.97758 141.8
[M]- 201.97868 141.8
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