CID 361200

Nsc624164

Structural Information

Molecular Formula
C22H22O4S4
SMILES
CC1=CC=C(C=C1)S(=O)(=O)SCC2=CC=CC=C2CSS(=O)(=O)C3=CC=C(C=C3)C
InChI
InChI=1S/C22H22O4S4/c1-17-7-11-21(12-8-17)29(23,24)27-15-19-5-3-4-6-20(19)16-28-30(25,26)22-13-9-18(2)10-14-22/h3-14H,15-16H2,1-2H3
InChIKey
UCVRZZCQOGKKAR-UHFFFAOYSA-N
Compound name
1,2-bis[(4-methylphenyl)sulfonylsulfanylmethyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.0401 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.04738 213.5
[M+Na]+ 501.02932 220.5
[M-H]- 477.03282 219.2
[M+NH4]+ 496.07392 220.8
[M+K]+ 517.00326 208.8
[M+H-H2O]+ 461.03736 204.9
[M+HCOO]- 523.03830 213.5
[M+CH3COO]- 537.05395 227.9
[M+Na-2H]- 499.01477 216.0
[M]+ 478.03955 214.8
[M]- 478.04065 214.8
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.