CID 2757375

77423-14-4

Structural Information

Molecular Formula
C9H5NO5
SMILES
C1=CC2=C(C=C1C(=O)O)NC(=O)OC2=O
InChI
InChI=1S/C9H5NO5/c11-7(12)4-1-2-5-6(3-4)10-9(14)15-8(5)13/h1-3H,(H,10,14)(H,11,12)
InChIKey
LSXSNVAJTUIEHR-UHFFFAOYSA-N
Compound name
2,4-dioxo-1H-3,1-benzoxazine-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

207.01677 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.024046 135.6
[M+Na]+ 230.005988 146.7
[M-H]- 206.009494 138.1
[M+NH4]+ 225.050593 151.8
[M+K]+ 245.979928 144.6
[M+H-H2O]+ 190.014030 129.5
[M+HCOO]- 252.014971 155.4
[M+CH3COO]- 266.030621 179.3
[M+Na-2H]- 227.991436 143.8
[M]+ 207.01622142 137.5
[M]- 207.01731858 137.5
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