CID 499138

Nsc659467

Structural Information

Molecular Formula
C22H19S2
SMILES
CC[S+]=C1C2=CC=CC=C2C(S1)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H19S2/c1-2-23-21-19-15-9-10-16-20(19)22(24-21,17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-16H,2H2,1H3/q+1
InChIKey
JBTMZTFVYUTQOS-UHFFFAOYSA-N
Compound name
(3,3-diphenyl-2-benzothiophen-1-ylidene)-ethylsulfanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.0928 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.10008 182.5
[M+Na]+ 370.08202 191.5
[M-H]- 346.08552 192.9
[M+NH4]+ 365.12662 200.9
[M+K]+ 386.05596 178.0
[M+H-H2O]+ 330.09006 178.0
[M+HCOO]- 392.09100 194.8
[M+CH3COO]- 406.10665 193.2
[M+Na-2H]- 368.06747 185.6
[M]+ 347.09225 182.6
[M]- 347.09335 182.6
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.