CID 108341

Tetranitroglycoluril

Structural Information

Molecular Formula
C4H2N8O10
SMILES
C12C(N(C(=O)N1[N+](=O)[O-])[N+](=O)[O-])N(C(=O)N2[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C4H2N8O10/c13-3-5(9(15)16)1-2(7(3)11(19)20)8(12(21)22)4(14)6(1)10(17)18/h1-2H
InChIKey
HKTUDNFYVIXYSQ-UHFFFAOYSA-N
Compound name
1,3,4,6-tetranitro-3a,6a-dihydroimidazo[4,5-d]imidazole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

98
Patents

321.98938 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.99666 194.7
[M+Na]+ 344.97860 207.7
[M-H]- 320.98210 204.0
[M+NH4]+ 340.02320 206.6
[M+K]+ 360.95254 198.9
[M+H-H2O]+ 304.98664 174.1
[M+HCOO]- 366.98758 215.2
[M+CH3COO]- 381.00323 188.6
[M+Na-2H]- 342.96405 192.9
[M]+ 321.98883 185.2
[M]- 321.98993 185.2
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