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

63
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 135.6
[M+Na]+ 230.00599 146.7
[M-H]- 206.00949 138.1
[M+NH4]+ 225.05059 151.8
[M+K]+ 245.97993 144.6
[M+H-H2O]+ 190.01403 129.5
[M+HCOO]- 252.01497 155.4
[M+CH3COO]- 266.03062 179.3
[M+Na-2H]- 227.99144 143.8
[M]+ 207.01622 137.5
[M]- 207.01732 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