CID 239581

Benzyl phenyl sulfoxide

Structural Information

Molecular Formula
C13H12OS
SMILES
C1=CC=C(C=C1)CS(=O)C2=CC=CC=C2
InChI
InChI=1S/C13H12OS/c14-15(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2
InChIKey
FBPGAWABXWMRAR-UHFFFAOYSA-N
Compound name
benzenesulfinylmethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

228
Patents

216.06088 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.06816 144.8
[M+Na]+ 239.05010 159.7
[M+NH4]+ 234.09470 155.1
[M+K]+ 255.02404 149.4
[M-H]- 215.05360 150.3
[M+Na-2H]- 237.03555 155.2
[M]+ 216.06033 149.2
[M]- 216.06143 149.2
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