CID 155019

Diphenyl[(phenylthio)phenyl]sulfonium hexafluorophosphate

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

216
Patents

371.0928 Da
Monoisotopic Mass

7.6
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

No literature data available for this compound.

Patent stripe

patents stripe