CID 257599

38775-52-9

Structural Information

Molecular Formula
C20H22O8S
SMILES
CCOC(=O)COC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)OCC(=O)OCC
InChI
InChI=1S/C20H22O8S/c1-3-25-19(21)13-27-15-5-9-17(10-6-15)29(23,24)18-11-7-16(8-12-18)28-14-20(22)26-4-2/h5-12H,3-4,13-14H2,1-2H3
InChIKey
SFQDUATXFZWGHZ-UHFFFAOYSA-N
Compound name
ethyl 2-[4-[4-(2-ethoxy-2-oxoethoxy)phenyl]sulfonylphenoxy]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

422.10355 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.11083 196.0
[M+Na]+ 445.09277 201.1
[M-H]- 421.09627 202.1
[M+NH4]+ 440.13737 205.7
[M+K]+ 461.06671 199.3
[M+H-H2O]+ 405.10081 187.1
[M+HCOO]- 467.10175 211.9
[M+CH3COO]- 481.11740 220.2
[M+Na-2H]- 443.07822 196.8
[M]+ 422.10300 206.7
[M]- 422.10410 206.7
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

No patent data available for this compound.