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
2
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]+ 351.053606 177.0
[M+Na]+ 373.035548 182.0
[M-H]- 349.039054 175.7
[M+NH4]+ 368.080153 192.5
[M+K]+ 389.009488 174.7
[M+H-H2O]+ 333.043590 174.0
[M+HCOO]- 395.044531 170.3
[M+CH3COO]- 409.060181 209.6
[M+Na-2H]- 371.020996 174.2
[M]+ 350.04578142 183.6
[M]- 350.04687858 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.