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

53
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 178.2
[M+Na]+ 344.12054 185.4
[M-H]- 320.12404 188.3
[M+NH4]+ 339.16514 192.5
[M+K]+ 360.09448 174.2
[M+H-H2O]+ 304.12858 172.0
[M+HCOO]- 366.12952 195.3
[M+CH3COO]- 380.14517 202.3
[M+Na-2H]- 342.10599 180.8
[M]+ 321.13077 179.7
[M]- 321.13187 179.7
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