CID 21863739

Schembl106317

Structural Information

Molecular Formula
C24H25S
SMILES
C1CCC(CC1)C2=CC=C(C=C2)[S+](C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H25S/c1-4-10-20(11-5-1)21-16-18-24(19-17-21)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23/h2-3,6-9,12-20H,1,4-5,10-11H2/q+1
InChIKey
XNUYPROIFFCXAE-UHFFFAOYSA-N
Compound name
(4-cyclohexylphenyl)-diphenylsulfanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2201
Patents

345.1677 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.17498 186.1
[M+Na]+ 368.15692 188.6
[M-H]- 344.16042 196.9
[M+NH4]+ 363.20152 197.9
[M+K]+ 384.13086 176.2
[M+H-H2O]+ 328.16496 178.6
[M+HCOO]- 390.16590 199.1
[M+CH3COO]- 404.18155 194.3
[M+Na-2H]- 366.14237 187.8
[M]+ 345.16715 179.5
[M]- 345.16825 179.5
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