CID 15919604

4,4'-thiodi(3-methyl-6-tert-butylphenol)

Structural Information

Molecular Formula
C22H30O2S2
SMILES
CC1=CC(=C(C=C1SSC2=CC(=C(C=C2C)O)C(C)(C)C)C(C)(C)C)O
InChI
InChI=1S/C22H30O2S2/c1-13-9-17(23)15(21(3,4)5)11-19(13)25-26-20-12-16(22(6,7)8)18(24)10-14(20)2/h9-12,23-24H,1-8H3
InChIKey
PDZFTCZFUMIMKC-UHFFFAOYSA-N
Compound name
2-tert-butyl-4-[(5-tert-butyl-4-hydroxy-2-methylphenyl)disulfanyl]-5-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

390.16873 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.17601 190.0
[M+Na]+ 413.15795 197.4
[M-H]- 389.16145 193.9
[M+NH4]+ 408.20255 202.1
[M+K]+ 429.13189 190.3
[M+H-H2O]+ 373.16599 183.4
[M+HCOO]- 435.16693 195.2
[M+CH3COO]- 449.18258 219.5
[M+Na-2H]- 411.14340 187.3
[M]+ 390.16818 195.0
[M]- 390.16928 195.0
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