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

1753
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

literature stripe

Patent stripe

patents stripe