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]+ 323.09228 172.7
[M+Na]+ 345.07422 179.8
[M-H]- 321.07772 181.5
[M+NH4]+ 340.11882 187.3
[M+K]+ 361.04816 172.1
[M+H-H2O]+ 305.08226 164.8
[M+HCOO]- 367.08320 184.9
[M+CH3COO]- 381.09885 183.2
[M+Na-2H]- 343.05967 176.1
[M]+ 322.08445 173.8
[M]- 322.08555 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.