CID 77148

3597-63-5

Structural Information

Molecular Formula
C8H5NO3
SMILES
C1=CC=C2C(=C1)NC(=O)C(=O)O2
InChI
InChI=1S/C8H5NO3/c10-7-8(11)12-6-4-2-1-3-5(6)9-7/h1-4H,(H,9,10)
InChIKey
MNDKNFRJYMSGTH-UHFFFAOYSA-N
Compound name
4H-1,4-benzoxazine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

34
Patents

163.02695 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.034226 125.7
[M+Na]+ 186.016168 137.1
[M-H]- 162.019674 129.3
[M+NH4]+ 181.060773 144.5
[M+K]+ 201.990108 134.9
[M+H-H2O]+ 146.024210 119.6
[M+HCOO]- 208.025151 147.9
[M+CH3COO]- 222.040801 172.7
[M+Na-2H]- 184.001616 136.8
[M]+ 163.02640142 127.1
[M]- 163.02749858 127.1
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.