CID 22671618

2,4-dioxo-2,4-dihydro-1h-3,1-benzoxazine-6-sulfonyl chloride

Structural Information

Molecular Formula
C8H4ClNO5S
SMILES
C1=CC2=C(C=C1S(=O)(=O)Cl)C(=O)OC(=O)N2
InChI
InChI=1S/C8H4ClNO5S/c9-16(13,14)4-1-2-6-5(3-4)7(11)15-8(12)10-6/h1-3H,(H,10,12)
InChIKey
YLRUKOOOADWBQH-UHFFFAOYSA-N
Compound name
2,4-dioxo-1H-3,1-benzoxazine-6-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

260.94986 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.95714 144.7
[M+Na]+ 283.93908 157.9
[M-H]- 259.94258 149.0
[M+NH4]+ 278.98368 161.1
[M+K]+ 299.91302 154.0
[M+H-H2O]+ 243.94712 140.3
[M+HCOO]- 305.94806 156.5
[M+CH3COO]- 319.96371 185.1
[M+Na-2H]- 281.92453 152.8
[M]+ 260.94931 151.6
[M]- 260.95041 151.6
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