CID 241855

Nsc49733

Structural Information

Molecular Formula
C20H18O2S2
SMILES
C1=CC=C(C=C1)CSS(=O)(=O)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C20H18O2S2/c21-24(22,23-16-17-10-4-1-5-11-17)20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15,20H,16H2
InChIKey
XINRYQIHCBXJRR-UHFFFAOYSA-N
Compound name
benzhydrylsulfonylsulfanylmethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.07483 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.08211 181.5
[M+Na]+ 377.06405 188.1
[M-H]- 353.06755 190.2
[M+NH4]+ 372.10865 194.2
[M+K]+ 393.03799 180.8
[M+H-H2O]+ 337.07209 173.2
[M+HCOO]- 399.07303 193.3
[M+CH3COO]- 413.08868 191.3
[M+Na-2H]- 375.04950 184.2
[M]+ 354.07428 183.3
[M]- 354.07538 183.3
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.