CID 5829359

2-phenyl-ethenesulfonic acid 3-phenoxy-phenyl ester

Structural Information

Molecular Formula
C20H16O4S
SMILES
C1=CC=C(C=C1)/C=C/S(=O)(=O)OC2=CC=CC(=C2)OC3=CC=CC=C3
InChI
InChI=1S/C20H16O4S/c21-25(22,15-14-17-8-3-1-4-9-17)24-20-13-7-12-19(16-20)23-18-10-5-2-6-11-18/h1-16H/b15-14+
InChIKey
KWXFJGCVGIFLQY-CCEZHUSRSA-N
Compound name
(3-phenoxyphenyl) (E)-2-phenylethenesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.07693 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.08421 182.3
[M+Na]+ 375.06615 189.6
[M-H]- 351.06965 191.8
[M+NH4]+ 370.11075 194.8
[M+K]+ 391.04009 184.0
[M+H-H2O]+ 335.07419 173.2
[M+HCOO]- 397.07513 200.8
[M+CH3COO]- 411.09078 206.5
[M+Na-2H]- 373.05160 186.9
[M]+ 352.07638 186.0
[M]- 352.07748 186.0
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.