CID 5829359

3-phenoxyphenyl 2-phenylethenesulfonate

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 180.2
[M+Na]+ 375.06615 195.5
[M+NH4]+ 370.11075 188.0
[M+K]+ 391.04009 185.1
[M-H]- 351.06965 185.8
[M+Na-2H]- 373.05160 191.5
[M]+ 352.07638 184.6
[M]- 352.07748 184.6
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.