CID 102084003

Schembl18726136

Structural Information

Molecular Formula
C8H7NO4S
SMILES
COC1=CC=CC2=C1S(=O)(=O)NC2=O
InChI
InChI=1S/C8H7NO4S/c1-13-6-4-2-3-5-7(6)14(11,12)9-8(5)10/h2-4H,1H3,(H,9,10)
InChIKey
FKMRUSIYXJLNLC-UHFFFAOYSA-N
Compound name
7-methoxy-1,1-dioxo-1,2-benzothiazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

213.00958 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.016856 138.4
[M+Na]+ 235.998798 150.5
[M-H]- 212.002304 141.6
[M+NH4]+ 231.043403 161.0
[M+K]+ 251.972738 147.2
[M+H-H2O]+ 196.006840 134.3
[M+HCOO]- 258.007781 156.0
[M+CH3COO]- 272.023431 178.8
[M+Na-2H]- 233.984246 143.2
[M]+ 213.00903142 142.6
[M]- 213.01012858 142.6
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