CID 10961213

Phenol, 4,4'-thiobis[2,6-bis(1,1-dimethylethyl)-

Structural Information

Molecular Formula
C28H42O2S
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C28H42O2S/c1-25(2,3)19-13-17(14-20(23(19)29)26(4,5)6)31-18-15-21(27(7,8)9)24(30)22(16-18)28(10,11)12/h13-16,29-30H,1-12H3
InChIKey
DQSYGNJXYMAPMV-UHFFFAOYSA-N
Compound name
2,6-ditert-butyl-4-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

741
Patents

442.29056 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.29784 207.1
[M+Na]+ 465.27978 213.1
[M-H]- 441.28328 211.3
[M+NH4]+ 460.32438 217.4
[M+K]+ 481.25372 208.2
[M+H-H2O]+ 425.28782 201.0
[M+HCOO]- 487.28876 212.9
[M+CH3COO]- 501.30441 233.0
[M+Na-2H]- 463.26523 206.0
[M]+ 442.29001 212.5
[M]- 442.29111 212.5
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