CID 58918144

Bis[2-(2'-bromoisobutyryloxy)ethyl]disulfide

Structural Information

Molecular Formula
C12H20Br2O4S2
SMILES
CC(C)(C(=O)OCCSSCCOC(=O)C(C)(C)Br)Br
InChI
InChI=1S/C12H20Br2O4S2/c1-11(2,13)9(15)17-5-7-19-20-8-6-18-10(16)12(3,4)14/h5-8H2,1-4H3
InChIKey
PXBWWYBXPGZCHC-UHFFFAOYSA-N
Compound name
2-[2-(2-bromo-2-methylpropanoyl)oxyethyldisulfanyl]ethyl 2-bromo-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

215
Patents

449.917 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.92428 156.7
[M+Na]+ 472.90622 165.7
[M-H]- 448.90972 160.0
[M+NH4]+ 467.95082 171.7
[M+K]+ 488.88016 148.2
[M+H-H2O]+ 432.91426 163.6
[M+HCOO]- 494.91520 160.2
[M+CH3COO]- 508.93085 221.5
[M+Na-2H]- 470.89167 160.1
[M]+ 449.91645 195.6
[M]- 449.91755 195.6
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