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

20
Patents

228.02048 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.027756 143.3
[M+Na]+ 251.009698 152.1
[M-H]- 227.013204 145.6
[M+NH4]+ 246.054303 159.0
[M+K]+ 266.983638 149.4
[M+H-H2O]+ 211.017740 137.6
[M+HCOO]- 273.018681 156.7
[M+CH3COO]- 287.034331 183.7
[M+Na-2H]- 248.995146 150.1
[M]+ 228.01993142 142.6
[M]- 228.02102858 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