CID 108889

Disulfide, tert-dodecyl trichloromethyl

Structural Information

Molecular Formula
C13H25Cl3S2
SMILES
CCCCCCCCCC(C)(C)SSC(Cl)(Cl)Cl
InChI
InChI=1S/C13H25Cl3S2/c1-4-5-6-7-8-9-10-11-12(2,3)17-18-13(14,15)16/h4-11H2,1-3H3
InChIKey
HQMWYXQYQCOBOU-UHFFFAOYSA-N
Compound name
2-methyl-2-(trichloromethyldisulfanyl)undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.04633 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.05361 177.0
[M+Na]+ 373.03555 182.0
[M-H]- 349.03905 175.7
[M+NH4]+ 368.08015 192.5
[M+K]+ 389.00949 174.7
[M+H-H2O]+ 333.04359 174.0
[M+HCOO]- 395.04453 170.3
[M+CH3COO]- 409.06018 209.6
[M+Na-2H]- 371.02100 174.2
[M]+ 350.04578 183.6
[M]- 350.04688 183.6
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.