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 130.4
[M+Na]+ 203.01890 139.5
[M-H]- 179.02240 131.8
[M+NH4]+ 198.06350 147.7
[M+K]+ 218.99284 139.0
[M+H-H2O]+ 163.02694 126.5
[M+HCOO]- 225.02788 149.0
[M+CH3COO]- 239.04353 174.2
[M+Na-2H]- 201.00435 138.1
[M]+ 180.02913 129.1
[M]- 180.03023 129.1
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.