CID 4296458

(4-phenoxyphenyl)diphenylsulfonium triflate

Structural Information

Molecular Formula
C24H19OS
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)[S+](C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H19OS/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
VQJWWTCKNSPKMJ-UHFFFAOYSA-N
Compound name
(4-phenoxyphenyl)-diphenylsulfanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

806
Patents

355.11566 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.12294 189.1
[M+Na]+ 378.10488 194.5
[M-H]- 354.10838 201.1
[M+NH4]+ 373.14948 200.6
[M+K]+ 394.07882 182.1
[M+H-H2O]+ 338.11292 181.3
[M+HCOO]- 400.11386 206.3
[M+CH3COO]- 414.12951 198.5
[M+Na-2H]- 376.09033 193.6
[M]+ 355.11511 187.9
[M]- 355.11621 187.9
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