CID 3086375

Phenol, 4,4'-[methylenebis(oxy-2,1-ethanediylthio)]bis-

Structural Information

Molecular Formula
C17H20O4S2
SMILES
C1=CC(=CC=C1O)SCCOCOCCSC2=CC=C(C=C2)O
InChI
InChI=1S/C17H20O4S2/c18-14-1-5-16(6-2-14)22-11-9-20-13-21-10-12-23-17-7-3-15(19)4-8-17/h1-8,18-19H,9-13H2
InChIKey
QBZPUSKHVURBGP-UHFFFAOYSA-N
Compound name
4-[2-[2-(4-hydroxyphenyl)sulfanylethoxymethoxy]ethylsulfanyl]phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2068
Patents

352.0803 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.08758 176.4
[M+Na]+ 375.06952 182.1
[M-H]- 351.07302 179.4
[M+NH4]+ 370.11412 188.6
[M+K]+ 391.04346 175.4
[M+H-H2O]+ 335.07756 168.8
[M+HCOO]- 397.07850 187.1
[M+CH3COO]- 411.09415 204.4
[M+Na-2H]- 373.05497 176.8
[M]+ 352.07975 182.1
[M]- 352.08085 182.1
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.