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 144.8
[M+Na]+ 266.00936 157.0
[M-H]- 242.01286 148.1
[M+NH4]+ 261.05396 166.3
[M+K]+ 281.98330 154.1
[M+H-H2O]+ 226.01740 140.8
[M+HCOO]- 288.01834 162.2
[M+CH3COO]- 302.03399 185.3
[M+Na-2H]- 263.99481 148.9
[M]+ 243.01959 151.2
[M]- 243.02069 151.2
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

patents stripe