CID 3056936

Tetramethylene-p-phenylphenacylsulfonium bromide

Structural Information

Molecular Formula
C18H19OS
SMILES
C1CC[S+](C1)CC(=O)C2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H19OS/c19-18(14-20-12-4-5-13-20)17-10-8-16(9-11-17)15-6-2-1-3-7-15/h1-3,6-11H,4-5,12-14H2/q+1
InChIKey
FJIQFFONNANMHD-UHFFFAOYSA-N
Compound name
1-(4-phenylphenyl)-2-(thiolan-1-ium-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

267
Patents

283.11566 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.12294 169.5
[M+Na]+ 306.10488 174.9
[M-H]- 282.10838 179.1
[M+NH4]+ 301.14948 186.8
[M+K]+ 322.07882 164.4
[M+H-H2O]+ 266.11292 164.7
[M+HCOO]- 328.11386 186.1
[M+CH3COO]- 342.12951 190.8
[M+Na-2H]- 304.09033 170.4
[M]+ 283.11511 166.9
[M]- 283.11621 166.9
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