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]+ 353.084206 182.3
[M+Na]+ 375.066148 189.6
[M-H]- 351.069654 191.8
[M+NH4]+ 370.110753 194.8
[M+K]+ 391.040088 184.0
[M+H-H2O]+ 335.074190 173.2
[M+HCOO]- 397.075131 200.8
[M+CH3COO]- 411.090781 206.5
[M+Na-2H]- 373.051596 186.9
[M]+ 352.07638142 186.0
[M]- 352.07747858 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.