CID 71758465

64404-51-9

Structural Information

Molecular Formula
C9H9NO5S
SMILES
COC1=CC2=C(C(=C1)OC)S(=O)(=O)NC2=O
InChI
InChI=1S/C9H9NO5S/c1-14-5-3-6-8(7(4-5)15-2)16(12,13)10-9(6)11/h3-4H,1-2H3,(H,10,11)
InChIKey
RMIMOFZZDXCGRA-UHFFFAOYSA-N
Compound name
5,7-dimethoxy-1,1-dioxo-1,2-benzothiazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

243.02014 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.02742 150.2
[M+Na]+ 266.00936 161.0
[M+NH4]+ 261.05396 158.1
[M+K]+ 281.98330 154.7
[M-H]- 242.01286 149.3
[M+Na-2H]- 263.99481 153.9
[M]+ 243.01959 151.8
[M]- 243.02069 151.8
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