CID 12277224

Phenol, 4,4'-[dithiobis(methylene)]bis[2-methoxy-

Structural Information

Molecular Formula
C16H18O4S2
SMILES
COC1=C(C=CC(=C1)CSSCC2=CC(=C(C=C2)O)OC)O
InChI
InChI=1S/C16H18O4S2/c1-19-15-7-11(3-5-13(15)17)9-21-22-10-12-4-6-14(18)16(8-12)20-2/h3-8,17-18H,9-10H2,1-2H3
InChIKey
JPNWSVVVWMHFRK-UHFFFAOYSA-N
Compound name
4-[[(4-hydroxy-3-methoxyphenyl)methyldisulfanyl]methyl]-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.06464 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.07192 172.2
[M+Na]+ 361.05386 179.8
[M-H]- 337.05736 176.1
[M+NH4]+ 356.09846 185.5
[M+K]+ 377.02780 173.5
[M+H-H2O]+ 321.06190 165.1
[M+HCOO]- 383.06284 183.0
[M+CH3COO]- 397.07849 203.9
[M+Na-2H]- 359.03931 171.7
[M]+ 338.06409 178.4
[M]- 338.06519 178.4
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.