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

49
Patents

208.01202 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.01930 134.2
[M+Na]+ 231.00124 144.5
[M-H]- 207.00474 138.0
[M+NH4]+ 226.04584 150.1
[M+K]+ 246.97518 138.6
[M+H-H2O]+ 191.00928 132.2
[M+HCOO]- 253.01022 157.2
[M+CH3COO]- 267.02587 175.3
[M+Na-2H]- 228.98669 146.0
[M]+ 208.01147 134.6
[M]- 208.01257 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