CID 66287

10169-55-8

Structural Information

Molecular Formula
C14H12OS
SMILES
CC(=O)C1=CC=C(C=C1)SC2=CC=CC=C2
InChI
InChI=1S/C14H12OS/c1-11(15)12-7-9-14(10-8-12)16-13-5-3-2-4-6-13/h2-10H,1H3
InChIKey
XUDYHODVSUXRPW-UHFFFAOYSA-N
Compound name
1-(4-phenylsulfanylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

731
Patents

228.06088 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.06816 148.6
[M+Na]+ 251.05010 156.6
[M-H]- 227.05360 155.6
[M+NH4]+ 246.09470 167.1
[M+K]+ 267.02404 152.2
[M+H-H2O]+ 211.05814 141.7
[M+HCOO]- 273.05908 167.3
[M+CH3COO]- 287.07473 189.0
[M+Na-2H]- 249.03555 151.8
[M]+ 228.06033 150.4
[M]- 228.06143 150.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe