CID 615071

27320-80-5

Structural Information

Molecular Formula
C8H8N2O4S
SMILES
C1C(=O)NC2=C(O1)C=CC(=C2)S(=O)(=O)N
InChI
InChI=1S/C8H8N2O4S/c9-15(12,13)5-1-2-7-6(3-5)10-8(11)4-14-7/h1-3H,4H2,(H,10,11)(H2,9,12,13)
InChIKey
ZJICVKGJCQIJRK-UHFFFAOYSA-N
Compound name
3-oxo-4H-1,4-benzoxazine-6-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

228.02048 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.02776 143.3
[M+Na]+ 251.00970 152.1
[M-H]- 227.01320 145.6
[M+NH4]+ 246.05430 159.0
[M+K]+ 266.98364 149.4
[M+H-H2O]+ 211.01774 137.6
[M+HCOO]- 273.01868 156.7
[M+CH3COO]- 287.03433 183.7
[M+Na-2H]- 248.99515 150.1
[M]+ 228.01993 142.6
[M]- 228.02103 142.6
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