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
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 |
Literature stripe
No literature data available for this compound.