CID 9855777

2633-67-2

Structural Information

Molecular Formula

C₈H₇ClO₂S

SMILES

C=CC1=CC=C(C=C1)S(=O)(=O)Cl

InChI

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

InChIKey

VHEKFTULOYIMSU-UHFFFAOYSA-N

Compound name

4-ethenylbenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1108
Patents: 201.98553 Da
Monoisotopic Mass: 2.7
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