CID 82372097

1368585-15-2

Structural Information

Molecular Formula
C9H8ClNO5S
SMILES
COC1=C(C=C2C(=C1)NC(=O)CO2)S(=O)(=O)Cl
InChI
InChI=1S/C9H8ClNO5S/c1-15-7-2-5-6(16-4-9(12)11-5)3-8(7)17(10,13)14/h2-3H,4H2,1H3,(H,11,12)
InChIKey
NYFGIVUWJJZFHA-UHFFFAOYSA-N
Compound name
6-methoxy-3-oxo-4H-1,4-benzoxazine-7-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.98117 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.98845 154.6
[M+Na]+ 299.97039 166.9
[M+NH4]+ 295.01499 161.3
[M+K]+ 315.94433 160.8
[M-H]- 275.97389 155.2
[M+Na-2H]- 297.95584 157.6
[M]+ 276.98062 157.2
[M]- 276.98172 157.2
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.