CID 4192643

116808-67-4

Structural Information

Molecular Formula
C19H17OS
SMILES
COC1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H17OS/c1-20-16-12-14-19(15-13-16)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3/q+1
InChIKey
CVBASHMCALKFME-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl)-diphenylsulfanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5644
Patents

293.1 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.107276 170.0
[M+Na]+ 316.089218 176.5
[M-H]- 292.092724 179.8
[M+NH4]+ 311.133823 184.9
[M+K]+ 332.063158 165.6
[M+H-H2O]+ 276.097260 164.0
[M+HCOO]- 338.098201 187.9
[M+CH3COO]- 352.113851 194.3
[M+Na-2H]- 314.074666 174.9
[M]+ 293.09945142 170.1
[M]- 293.10054858 170.1
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