CID 25203008

2-hydroxy-4-oxido-1,4-benzoxazin-3-one

Structural Information

Molecular Formula
C8H6NO4
SMILES
C1=CC=C2C(=C1)N(C(=O)C(O2)O)[O-]
InChI
InChI=1S/C8H6NO4/c10-7-8(11)13-6-4-2-1-3-5(6)9(7)12/h1-4,8,11H/q-1
InChIKey
QUBXBHWFQCVXQY-UHFFFAOYSA-N
Compound name
2-hydroxy-4-oxido-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

180.02968 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.03696 132.8
[M+Na]+ 203.01890 145.4
[M+NH4]+ 198.06350 139.9
[M+K]+ 218.99284 142.1
[M-H]- 179.02240 134.3
[M+Na-2H]- 201.00435 136.3
[M]+ 180.02913 134.5
[M]- 180.03023 134.5
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

No patent data available for this compound.