CID 316001

31197-50-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

362.13742 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.14470 185.1
[M+Na]+ 385.12664 192.4
[M-H]- 361.13014 191.3
[M+NH4]+ 380.17124 198.8
[M+K]+ 401.10058 186.4
[M+H-H2O]+ 345.13468 178.0
[M+HCOO]- 407.13562 193.3
[M+CH3COO]- 421.15127 212.7
[M+Na-2H]- 383.11209 187.2
[M]+ 362.13687 189.6
[M]- 362.13797 189.6
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.