CID 13387764

7-chloro-1,4-dihydro-2,4-dioxo-2h-3,1-benzoxazine-6-sulfonamide

Structural Information

Molecular Formula
C8H5ClN2O5S
SMILES
C1=C2C(=CC(=C1S(=O)(=O)N)Cl)NC(=O)OC2=O
InChI
InChI=1S/C8H5ClN2O5S/c9-4-2-5-3(1-6(4)17(10,14)15)7(12)16-8(13)11-5/h1-2H,(H,11,13)(H2,10,14,15)
InChIKey
OJRUZZLZXHSTAH-UHFFFAOYSA-N
Compound name
7-chloro-2,4-dioxo-1H-3,1-benzoxazine-6-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

275.9608 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.96808 150.4
[M+Na]+ 298.95002 163.3
[M-H]- 274.95352 154.2
[M+NH4]+ 293.99462 165.6
[M+K]+ 314.92396 158.9
[M+H-H2O]+ 258.95806 145.7
[M+HCOO]- 320.95900 162.3
[M+CH3COO]- 334.97465 191.1
[M+Na-2H]- 296.93547 157.3
[M]+ 275.96025 155.9
[M]- 275.96135 155.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe