CID 7308

4,4'-thiobis(6-tert-butyl-m-cresol)

Structural Information

Molecular Formula
C22H30O2S
SMILES
CC1=CC(=C(C=C1SC2=CC(=C(C=C2C)O)C(C)(C)C)C(C)(C)C)O
InChI
InChI=1S/C22H30O2S/c1-13-9-17(23)15(21(3,4)5)11-19(13)25-20-12-16(22(6,7)8)18(24)10-14(20)2/h9-12,23-24H,1-8H3
InChIKey
HXIQYSLFEXIOAV-UHFFFAOYSA-N
Compound name
2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

17
References

48352
Patents

358.19666 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.203936 186.1
[M+Na]+ 381.185878 194.2
[M-H]- 357.189384 190.9
[M+NH4]+ 376.230483 199.6
[M+K]+ 397.159818 188.6
[M+H-H2O]+ 341.193920 179.9
[M+HCOO]- 403.194861 196.8
[M+CH3COO]- 417.210511 215.5
[M+Na-2H]- 379.171326 184.5
[M]+ 358.19611142 190.6
[M]- 358.19720858 190.6
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