CID 578693

4-ethylphenylsulfonylbenzene

Structural Information

Molecular Formula
C14H14O2S
SMILES
CCC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H14O2S/c1-2-12-8-10-14(11-9-12)17(15,16)13-6-4-3-5-7-13/h3-11H,2H2,1H3
InChIKey
YMOQFMYBDGVJKE-UHFFFAOYSA-N
Compound name
1-(benzenesulfonyl)-4-ethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

246.07146 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.07874 153.1
[M+Na]+ 269.06068 161.9
[M-H]- 245.06418 160.3
[M+NH4]+ 264.10528 171.0
[M+K]+ 285.03462 157.4
[M+H-H2O]+ 229.06872 146.4
[M+HCOO]- 291.06966 171.7
[M+CH3COO]- 305.08531 189.8
[M+Na-2H]- 267.04613 158.1
[M]+ 246.07091 155.8
[M]- 246.07201 155.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe