CID 22345972

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

Structural Information

Molecular Formula
C16H18O3S2
SMILES
C1=CC(=CC=C1O)SCCOCCSC2=CC=C(C=C2)O
InChI
InChI=1S/C16H18O3S2/c17-13-1-5-15(6-2-13)20-11-9-19-10-12-21-16-7-3-14(18)4-8-16/h1-8,17-18H,9-12H2
InChIKey
NOMXFWAANLCUKA-UHFFFAOYSA-N
Compound name
4-[2-[2-(4-hydroxyphenyl)sulfanylethoxy]ethylsulfanyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

945
Patents

322.06973 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.07701 169.0
[M+Na]+ 345.05895 175.5
[M-H]- 321.06245 172.2
[M+NH4]+ 340.10355 182.5
[M+K]+ 361.03289 168.4
[M+H-H2O]+ 305.06699 161.9
[M+HCOO]- 367.06793 179.7
[M+CH3COO]- 381.08358 199.5
[M+Na-2H]- 343.04440 169.5
[M]+ 322.06918 173.0
[M]- 322.07028 173.0
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

patents stripe