CID 69282

Dibenzyl sulfone

Structural Information

Molecular Formula
C14H14O2S
SMILES
C1=CC=C(C=C1)CS(=O)(=O)CC2=CC=CC=C2
InChI
InChI=1S/C14H14O2S/c15-17(16,11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKey
AWHNUHMUCGRKRA-UHFFFAOYSA-N
Compound name
benzylsulfonylmethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

1488
Patents

246.07146 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.07874 153.7
[M+Na]+ 269.06068 161.6
[M-H]- 245.06418 160.6
[M+NH4]+ 264.10528 171.3
[M+K]+ 285.03462 157.1
[M+H-H2O]+ 229.06872 146.8
[M+HCOO]- 291.06966 172.4
[M+CH3COO]- 305.08531 188.7
[M+Na-2H]- 267.04613 159.3
[M]+ 246.07091 156.0
[M]- 246.07201 156.0
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