CID 3024071

4-ethylsulphonylbenzophenone

Structural Information

Molecular Formula

C₁₅H₁₄O₃S

SMILES

CCS(=O)(=O)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H14O3S/c1-2-19(17,18)14-10-8-13(9-11-14)15(16)12-6-4-3-5-7-12/h3-11H,2H2,1H3

InChIKey

LHWMCZLFDVYHAJ-UHFFFAOYSA-N

Compound name

(4-ethylsulfonylphenyl)-phenylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 274.06638 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	275.073656	160.1
[M+Na]+	297.055598	168.1
[M-H]-	273.059104	167.1
[M+NH4]+	292.100203	176.5
[M+K]+	313.029538	163.8
[M+H-H2O]+	257.063640	153.1
[M+HCOO]-	319.064581	177.7
[M+CH3COO]-	333.080231	194.8
[M+Na-2H]-	295.041046	163.6
[M]+	274.06583142	163.2
[M]-	274.06692858	163.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe