CID 4296225

Benzene, 1,1'-[(1-phenylethylidene)bis(thio)]bis-

Structural Information

Molecular Formula
C20H18S2
SMILES
CC(C1=CC=CC=C1)(SC2=CC=CC=C2)SC3=CC=CC=C3
InChI
InChI=1S/C20H18S2/c1-20(17-11-5-2-6-12-17,21-18-13-7-3-8-14-18)22-19-15-9-4-10-16-19/h2-16H,1H3
InChIKey
BPVGQNVAINNDNI-UHFFFAOYSA-N
Compound name
1,1-bis(phenylsulfanyl)ethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.085 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.092276 172.7
[M+Na]+ 345.074218 179.8
[M-H]- 321.077724 181.5
[M+NH4]+ 340.118823 187.3
[M+K]+ 361.048158 172.1
[M+H-H2O]+ 305.082260 164.8
[M+HCOO]- 367.083201 184.9
[M+CH3COO]- 381.098851 183.2
[M+Na-2H]- 343.059666 176.1
[M]+ 322.08445142 173.8
[M]- 322.08554858 173.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.