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]+ 256.06381 153.0
[M+Na]+ 278.04575 162.6
[M-H]- 254.04925 155.3
[M+NH4]+ 273.09035 173.5
[M+K]+ 294.01969 159.2
[M+H-H2O]+ 238.05379 148.2
[M+HCOO]- 300.05473 168.5
[M+CH3COO]- 314.07038 186.8
[M+Na-2H]- 276.03120 155.8
[M]+ 255.05598 157.1
[M]- 255.05708 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.