CID 137842

1-nitro-4-(2-nitrovinyl)benzene

Structural Information

Molecular Formula
C8H6N2O4
SMILES
C1=CC(=CC=C1C=C[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C8H6N2O4/c11-9(12)6-5-7-1-3-8(4-2-7)10(13)14/h1-6H
InChIKey
HABXLWPUIWFTNM-UHFFFAOYSA-N
Compound name
1-nitro-4-(2-nitroethenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

93
Patents

194.03276 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.04004 141.5
[M+Na]+ 217.02198 154.9
[M+NH4]+ 212.06658 149.0
[M+K]+ 232.99592 162.9
[M-H]- 193.02548 145.5
[M+Na-2H]- 215.00743 147.3
[M]+ 194.03221 144.2
[M]- 194.03331 144.2
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