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

literature stripe

Patent stripe

patents stripe