CID 11074727

62473-95-4

Structural Information

Molecular Formula
C8H7NO4S
SMILES
COC1=CC2=C(C=C1)C(=O)NS2(=O)=O
InChI
InChI=1S/C8H7NO4S/c1-13-5-2-3-6-7(4-5)14(11,12)9-8(6)10/h2-4H,1H3,(H,9,10)
InChIKey
FGWXGHBHIOINCJ-UHFFFAOYSA-N
Compound name
6-methoxy-1,1-dioxo-1,2-benzothiazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

213.00958 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.01686 142.7
[M+Na]+ 235.99880 153.8
[M+NH4]+ 231.04340 151.3
[M+K]+ 251.97274 147.0
[M-H]- 212.00230 142.2
[M+Na-2H]- 233.98425 147.2
[M]+ 213.00903 144.5
[M]- 213.01013 144.5
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

patents stripe