CID 113584

Einecs 303-106-8

Structural Information

Molecular Formula
C20H26O2S2
SMILES
CC(C)(C)C1=CC(=C(C=C1)SSC2=C(C=CC(=C2)C(C)(C)C)O)O
InChI
InChI=1S/C20H26O2S2/c1-19(2,3)13-8-10-17(16(22)11-13)23-24-18-12-14(20(4,5)6)7-9-15(18)21/h7-12,21-22H,1-6H3
InChIKey
GTGSWTJNEBSPOT-UHFFFAOYSA-N
Compound name
4-tert-butyl-2-[(4-tert-butyl-2-hydroxyphenyl)disulfanyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.13742 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.144696 183.6
[M+Na]+ 385.126638 190.6
[M-H]- 361.130144 187.3
[M+NH4]+ 380.171243 196.4
[M+K]+ 401.100578 183.6
[M+H-H2O]+ 345.134680 177.1
[M+HCOO]- 407.135621 189.8
[M+CH3COO]- 421.151271 211.2
[M+Na-2H]- 383.112086 182.9
[M]+ 362.13687142 187.3
[M]- 362.13796858 187.3
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

No patent data available for this compound.