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

6018
Patents

293.1 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.10728 170.0
[M+Na]+ 316.08922 176.5
[M-H]- 292.09272 179.8
[M+NH4]+ 311.13382 184.9
[M+K]+ 332.06316 165.6
[M+H-H2O]+ 276.09726 164.0
[M+HCOO]- 338.09820 187.9
[M+CH3COO]- 352.11385 194.3
[M+Na-2H]- 314.07467 174.9
[M]+ 293.09945 170.1
[M]- 293.10055 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