CID 211521

23274-78-4

Structural Information

Molecular Formula
C11H13NO4S
SMILES
CCOC(=O)CC1C2=CC=CC=C2S(=O)(=O)N1
InChI
InChI=1S/C11H13NO4S/c1-2-16-11(13)7-9-8-5-3-4-6-10(8)17(14,15)12-9/h3-6,9,12H,2,7H2,1H3
InChIKey
ZBVXOHSYIZHTMT-UHFFFAOYSA-N
Compound name
ethyl 2-(1,1-dioxo-2,3-dihydro-1,2-benzothiazol-3-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.05653 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.063806 153.0
[M+Na]+ 278.045748 162.6
[M-H]- 254.049254 155.3
[M+NH4]+ 273.090353 173.5
[M+K]+ 294.019688 159.2
[M+H-H2O]+ 238.053790 148.2
[M+HCOO]- 300.054731 168.5
[M+CH3COO]- 314.070381 186.8
[M+Na-2H]- 276.031196 155.8
[M]+ 255.05598142 157.1
[M]- 255.05707858 157.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.