CID 171406

Brn 1979388

Structural Information

Molecular Formula
C16H18S2Se
SMILES
C1=CC=C(C=C1)SCC[Se]CCSC2=CC=CC=C2
InChI
InChI=1S/C16H18S2Se/c1-3-7-15(8-4-1)17-11-13-19-14-12-18-16-9-5-2-6-10-16/h1-10H,11-14H2
InChIKey
DFHXUWPUVIHFNY-UHFFFAOYSA-N
Compound name
2-(2-phenylsulfanylethylselanyl)ethylsulfanylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.0015 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.00878 174.1
[M+Na]+ 376.99072 180.0
[M-H]- 352.99422 179.2
[M+NH4]+ 372.03532 189.8
[M+K]+ 392.96466 172.6
[M+H-H2O]+ 336.99876 166.0
[M+HCOO]- 398.99970 186.4
[M+CH3COO]- 413.01535 201.6
[M+Na-2H]- 374.97617 174.4
[M]+ 354.00095 177.2
[M]- 354.00205 177.2
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.