CID 14145188

[2-(methylsulfanyl)phenyl](phenyl)methanone

Structural Information

Molecular Formula
C14H12OS
SMILES
CSC1=CC=CC=C1C(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H12OS/c1-16-13-10-6-5-9-12(13)14(15)11-7-3-2-4-8-11/h2-10H,1H3
InChIKey
RAXZMGHNKSLALN-UHFFFAOYSA-N
Compound name
(2-methylsulfanylphenyl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

228.06088 Da
Monoisotopic Mass

3.8
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