CID 3296071

(4-phenylthiophenyl)diphenylsulfonium triflate

Structural Information

Molecular Formula
C24H19S2
SMILES
C1=CC=C(C=C1)SC2=CC=C(C=C2)[S+](C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H19S2/c1-4-10-20(11-5-1)25-21-16-18-24(19-17-21)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h1-19H/q+1
InChIKey
OWZDULOODZHVCQ-UHFFFAOYSA-N
Compound name
diphenyl-(4-phenylsulfanylphenyl)sulfanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7520
Patents

371.0928 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.10008 187.1
[M+Na]+ 394.08202 193.3
[M-H]- 370.08552 198.6
[M+NH4]+ 389.12662 198.6
[M+K]+ 410.05596 179.3
[M+H-H2O]+ 354.09006 180.3
[M+HCOO]- 416.09100 199.2
[M+CH3COO]- 430.10665 196.2
[M+Na-2H]- 392.06747 190.4
[M]+ 371.09225 185.5
[M]- 371.09335 185.5
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

patents stripe