CID 117981

Di-tert-dodecyl disulfide

Structural Information

Molecular Formula
C24H50S2
SMILES
CCCCCCCCCC(C)(C)SSC(C)(C)CCCCCCCCC
InChI
InChI=1S/C24H50S2/c1-7-9-11-13-15-17-19-21-23(3,4)25-26-24(5,6)22-20-18-16-14-12-10-8-2/h7-22H2,1-6H3
InChIKey
LEDIWWJKWAMGLD-UHFFFAOYSA-N
Compound name
2-methyl-2-(2-methylundecan-2-yldisulfanyl)undecane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

707
Patents

402.3354 Da
Monoisotopic Mass

11.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.34268 205.5
[M+Na]+ 425.32462 205.8
[M-H]- 401.32812 202.6
[M+NH4]+ 420.36922 217.7
[M+K]+ 441.29856 199.3
[M+H-H2O]+ 385.33266 198.0
[M+HCOO]- 447.33360 209.5
[M+CH3COO]- 461.34925 229.6
[M+Na-2H]- 423.31007 199.9
[M]+ 402.33485 215.0
[M]- 402.33595 215.0
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