CID 178244257

5-hydroxy-2h-1,2-benzoxazine-7,8-dione

Structural Information

Molecular Formula
C8H5NO4
SMILES
C1=CNOC2=C1C(=CC(=O)C2=O)O
InChI
InChI=1S/C8H5NO4/c10-5-3-6(11)7(12)8-4(5)1-2-9-13-8/h1-3,9-10H
InChIKey
SAEYONUDPKKAKY-UHFFFAOYSA-N
Compound name
5-hydroxy-2H-1,2-benzoxazine-7,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.02185 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.029126 128.5
[M+Na]+ 202.011068 141.3
[M-H]- 178.014574 131.5
[M+NH4]+ 197.055673 146.3
[M+K]+ 217.985008 138.7
[M+H-H2O]+ 162.019110 122.6
[M+HCOO]- 224.020051 150.7
[M+CH3COO]- 238.035701 173.6
[M+Na-2H]- 199.996516 139.3
[M]+ 179.02130142 131.4
[M]- 179.02239858 131.4
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.