CID 324428

75195-73-2

Structural Information

Molecular Formula
C22H22O6S4
SMILES
CC1=CC=C(C=C1)S(=O)(=O)C(SS(=O)(=O)C2=CC=C(C=C2)C)S(=O)(=O)C3=CC=C(C=C3)C
InChI
InChI=1S/C22H22O6S4/c1-16-4-10-19(11-5-16)30(23,24)22(31(25,26)20-12-6-17(2)7-13-20)29-32(27,28)21-14-8-18(3)9-15-21/h4-15,22H,1-3H3
InChIKey
YDWSRJKLEWDJCL-UHFFFAOYSA-N
Compound name
1-methyl-4-[(4-methylphenyl)sulfonyl-(4-methylphenyl)sulfonylsulfanylmethyl]sulfonylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

510.02994 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.03722 221.7
[M+Na]+ 533.01916 227.2
[M-H]- 509.02266 227.0
[M+NH4]+ 528.06376 226.8
[M+K]+ 548.99310 217.2
[M+H-H2O]+ 493.02720 213.0
[M+HCOO]- 555.02814 219.9
[M+CH3COO]- 569.04379 231.6
[M+Na-2H]- 531.00461 226.2
[M]+ 510.02939 223.0
[M]- 510.03049 223.0
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.