CID 56844161

2,3,5,6-tetranitroso-1,4-dinitrobenzene

Structural Information

Molecular Formula
C6N6O8
SMILES
C1(=C(C(=C(C(=C1[N+](=O)[O-])N=O)N=O)[N+](=O)[O-])N=O)N=O
InChI
InChI=1S/C6N6O8/c13-7-1-2(8-14)6(12(19)20)4(10-16)3(9-15)5(1)11(17)18
InChIKey
GQFJOSZTYNEGGE-UHFFFAOYSA-N
Compound name
1,4-dinitro-2,3,5,6-tetranitrosobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.97775 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.98503 146.6
[M+Na]+ 306.96697 154.1
[M-H]- 282.97047 212.5
[M+NH4]+ 302.01157 210.8
[M+K]+ 322.94091 148.5
[M+H-H2O]+ 266.97501 146.5
[M+HCOO]- 328.97595 223.0
[M+CH3COO]- 342.99160 206.0
[M+Na-2H]- 304.95242 159.5
[M]+ 283.97720 188.8
[M]- 283.97830 188.8
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.