CID 113289

Benzenesulfonyl chloride, 2,2'-dithiobis[5-methyl-

Structural Information

Molecular Formula
C14H12Cl2O4S4
SMILES
CC1=CC(=C(C=C1)SSC2=C(C=C(C=C2)C)S(=O)(=O)Cl)S(=O)(=O)Cl
InChI
InChI=1S/C14H12Cl2O4S4/c1-9-3-5-11(13(7-9)23(15,17)18)21-22-12-6-4-10(2)8-14(12)24(16,19)20/h3-8H,1-2H3
InChIKey
XLNCQXHULZXMHR-UHFFFAOYSA-N
Compound name
2-[(2-chlorosulfonyl-4-methylphenyl)disulfanyl]-5-methylbenzenesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.89954 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.90682 202.1
[M+Na]+ 464.88876 213.5
[M+NH4]+ 459.93336 208.9
[M+K]+ 480.86270 200.4
[M-H]- 440.89226 204.0
[M+Na-2H]- 462.87421 205.4
[M]+ 441.89899 206.6
[M]- 441.90009 206.6
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.