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 193.3
[M+Na]+ 464.88876 202.1
[M-H]- 440.89226 198.2
[M+NH4]+ 459.93336 203.9
[M+K]+ 480.86270 191.2
[M+H-H2O]+ 424.89680 188.9
[M+HCOO]- 486.89774 185.3
[M+CH3COO]- 500.91339 218.2
[M+Na-2H]- 462.87421 194.9
[M]+ 441.89899 197.2
[M]- 441.90009 197.2
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.