CID 69030

Di-p-tolyl sulfone

Structural Information

Molecular Formula
C14H14O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)C
InChI
InChI=1S/C14H14O2S/c1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKey
WEAYCYAIVOIUMG-UHFFFAOYSA-N
Compound name
1-methyl-4-(4-methylphenyl)sulfonylbenzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

13
References

2908
Patents

246.07146 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.07874 152.4
[M+Na]+ 269.06068 162.0
[M-H]- 245.06418 160.0
[M+NH4]+ 264.10528 170.6
[M+K]+ 285.03462 157.5
[M+H-H2O]+ 229.06872 145.9
[M+HCOO]- 291.06966 171.0
[M+CH3COO]- 305.08531 190.9
[M+Na-2H]- 267.04613 156.7
[M]+ 246.07091 155.5
[M]- 246.07201 155.5
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