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

61
Patents

207.01677 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.02405 137.7
[M+Na]+ 230.00599 151.3
[M+NH4]+ 225.05059 143.8
[M+K]+ 245.97993 147.6
[M-H]- 206.00949 138.5
[M+Na-2H]- 227.99144 142.2
[M]+ 207.01622 139.6
[M]- 207.01732 139.6
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