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 151.3
[M+Na]+ 299.97039 161.7
[M-H]- 275.97389 154.5
[M+NH4]+ 295.01499 166.8
[M+K]+ 315.94433 158.6
[M+H-H2O]+ 259.97843 146.8
[M+HCOO]- 321.97937 159.7
[M+CH3COO]- 335.99502 189.4
[M+Na-2H]- 297.95584 157.3
[M]+ 276.98062 156.5
[M]- 276.98172 156.5
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.