CID 459805

6-chloro-8-nitro-1h-3,1-benzoxazine-2,4-dione

Structural Information

Molecular Formula
C8H3ClN2O5
SMILES
C1=C(C=C(C2=C1C(=O)OC(=O)N2)[N+](=O)[O-])Cl
InChI
InChI=1S/C8H3ClN2O5/c9-3-1-4-6(5(2-3)11(14)15)10-8(13)16-7(4)12/h1-2H,(H,10,13)
InChIKey
RVEUSUWWSKGWHC-UHFFFAOYSA-N
Compound name
6-chloro-8-nitro-1H-3,1-benzoxazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.97305 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.98033 141.0
[M+Na]+ 264.96227 152.5
[M-H]- 240.96577 144.8
[M+NH4]+ 260.00687 156.6
[M+K]+ 280.93621 145.3
[M+H-H2O]+ 224.97031 140.1
[M+HCOO]- 286.97125 159.4
[M+CH3COO]- 300.98690 180.4
[M+Na-2H]- 262.94772 151.5
[M]+ 241.97250 143.9
[M]- 241.97360 143.9
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

No patent data available for this compound.