CID 134795

20829-97-4

Structural Information

Molecular Formula
C8H4N2O5
SMILES
C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)OC(=O)N2
InChI
InChI=1S/C8H4N2O5/c11-7-6-4(9-8(12)15-7)2-1-3-5(6)10(13)14/h1-3H,(H,9,12)
InChIKey
BGBLNERNAKQTDN-UHFFFAOYSA-N
Compound name
5-nitro-1H-3,1-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

208.01202 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.019296 134.2
[M+Na]+ 231.001238 144.5
[M-H]- 207.004744 138.0
[M+NH4]+ 226.045843 150.1
[M+K]+ 246.975178 138.6
[M+H-H2O]+ 191.009280 132.2
[M+HCOO]- 253.010221 157.2
[M+CH3COO]- 267.025871 175.3
[M+Na-2H]- 228.986686 146.0
[M]+ 208.01147142 134.6
[M]- 208.01256858 134.6
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