CID 5748800

4,4'-oxybis(ethylenethio)diphenol

Structural Information

Molecular Formula
C14H14O4S
SMILES
C1=CC(=CC=C1O)OC[C@H](OC2=CC=C(C=C2)O)S
InChI
InChI=1S/C14H14O4S/c15-10-1-5-12(6-2-10)17-9-14(19)18-13-7-3-11(16)4-8-13/h1-8,14-16,19H,9H2/t14-/m1/s1
InChIKey
ZEDDKYPUKGEUOJ-CQSZACIVSA-N
Compound name
4-[(2R)-2-(4-hydroxyphenoxy)-2-sulfanylethoxy]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

278.06128 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.06856 159.9
[M+Na]+ 301.05050 166.8
[M-H]- 277.05400 164.2
[M+NH4]+ 296.09510 174.9
[M+K]+ 317.02444 163.0
[M+H-H2O]+ 261.05854 152.9
[M+HCOO]- 323.05948 176.0
[M+CH3COO]- 337.07513 192.1
[M+Na-2H]- 299.03595 161.9
[M]+ 278.06073 163.3
[M]- 278.06183 163.3
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.