CID 4658505

Benzene, 1,1'-(1,3,5-hexatriene-1,6-diyl)bis[4-nitro-

Structural Information

Molecular Formula
C18H14N2O4
SMILES
C1=CC(=CC=C1C=CC=CC=CC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C18H14N2O4/c21-19(22)17-11-7-15(8-12-17)5-3-1-2-4-6-16-9-13-18(14-10-16)20(23)24/h1-14H
InChIKey
OYPMHQIMQGZDHK-UHFFFAOYSA-N
Compound name
1-nitro-4-[6-(4-nitrophenyl)hexa-1,3,5-trienyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

322.09537 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.10265 178.4
[M+Na]+ 345.08459 193.0
[M+NH4]+ 340.12919 184.9
[M+K]+ 361.05853 189.2
[M-H]- 321.08809 184.4
[M+Na-2H]- 343.07004 185.2
[M]+ 322.09482 181.9
[M]- 322.09592 181.9
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

patents stripe