CID 21703

P-chlorophenyl vinyl sulfone

Structural Information

Molecular Formula

C₈H₇ClO₂S

SMILES

C=CS(=O)(=O)C1=CC=C(C=C1)Cl

InChI

InChI=1S/C8H7ClO2S/c1-2-12(10,11)8-5-3-7(9)4-6-8/h2-6H,1H2

InChIKey

IBJGVAOFRSKZPY-UHFFFAOYSA-N

Compound name

1-chloro-4-ethenylsulfonylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 201.98553 Da
Monoisotopic Mass: 1.5
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]+	202.99281	140.4
[M+Na]+	224.97475	153.9
[M+NH4]+	220.01935	149.1
[M+K]+	240.94869	145.2
[M-H]-	200.97825	141.7
[M+Na-2H]-	222.96020	146.8
[M]+	201.98498	143.5
[M]-	201.98608	143.5

Literature stripe

literature stripe

Patent stripe

patents stripe