CID 101551

2,2'-thiobis(4,6-di-sec-pentylphenol)

Structural Information

Molecular Formula
C32H50O2S
SMILES
CCCC(C)C1=CC(=C(C(=C1)SC2=CC(=CC(=C2O)C(C)CCC)C(C)CCC)O)C(C)CCC
InChI
InChI=1S/C32H50O2S/c1-9-13-21(5)25-17-27(23(7)15-11-3)31(33)29(19-25)35-30-20-26(22(6)14-10-2)18-28(32(30)34)24(8)16-12-4/h17-24,33-34H,9-16H2,1-8H3
InChIKey
FLLOPEDWTVKHRZ-UHFFFAOYSA-N
Compound name
2-[2-hydroxy-3,5-di(pentan-2-yl)phenyl]sulfanyl-4,6-di(pentan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

498.35315 Da
Monoisotopic Mass

12.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.36043 227.6
[M+Na]+ 521.34237 229.0
[M-H]- 497.34587 229.8
[M+NH4]+ 516.38697 234.4
[M+K]+ 537.31631 222.4
[M+H-H2O]+ 481.35041 219.0
[M+HCOO]- 543.35135 233.7
[M+CH3COO]- 557.36700 248.1
[M+Na-2H]- 519.32782 214.9
[M]+ 498.35260 234.2
[M]- 498.35370 234.2
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