CID 11718506

141420-50-0

Structural Information

Molecular Formula
C23H22O5S
SMILES
CC1(CO1)COC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4
InChI
InChI=1S/C23H22O5S/c1-23(17-28-23)16-27-20-9-13-22(14-10-20)29(24,25)21-11-7-19(8-12-21)26-15-18-5-3-2-4-6-18/h2-14H,15-17H2,1H3
InChIKey
UIZMKKCVKQEXMO-UHFFFAOYSA-N
Compound name
2-methyl-2-[[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

321
Patents

410.1188 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.12608 200.4
[M+Na]+ 433.10802 217.1
[M+NH4]+ 428.15262 209.7
[M+K]+ 449.08196 206.7
[M-H]- 409.11152 215.0
[M+Na-2H]- 431.09347 214.3
[M]+ 410.11825 209.0
[M]- 410.11935 209.0
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