CID 58908036

856053-75-3

Structural Information

Molecular Formula
C21H21OS
SMILES
CC1=CC=C(C=C1)[S+](C2=CC=C(C=C2)C)C3=CC=C(C=C3)OC
InChI
InChI=1S/C21H21OS/c1-16-4-10-19(11-5-16)23(20-12-6-17(2)7-13-20)21-14-8-18(22-3)9-15-21/h4-15H,1-3H3/q+1
InChIKey
FQSLZJUKAKEHIE-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl)-bis(4-methylphenyl)sulfanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

52
Patents

321.13132 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.13860 171.9
[M+Na]+ 344.12054 191.2
[M+NH4]+ 339.16514 183.5
[M+K]+ 360.09448 179.9
[M-H]- 320.12404 182.1
[M+Na-2H]- 342.10599 185.1
[M]+ 321.13077 178.9
[M]- 321.13187 178.9
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