CID 5369377

52147-97-4

Structural Information

Molecular Formula

C₈H₇ClO₂S

SMILES

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

InChI

InChI=1S/C8H7ClO2S/c9-12(10,11)7-6-8-4-2-1-3-5-8/h1-7H/b7-6+

InChIKey

ONWRSBMOCIQLRK-VOTSOKGWSA-N

Compound name

(E)-2-phenylethenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 911
Patents: 201.98553 Da
Monoisotopic Mass: 2.4
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	137.5
[M+Na]+	224.97475	147.5
[M-H]-	200.97825	141.9
[M+NH4]+	220.01935	158.2
[M+K]+	240.94869	142.6
[M+H-H2O]+	184.98279	133.4
[M+HCOO]-	246.98373	152.1
[M+CH3COO]-	260.99938	177.1
[M+Na-2H]-	222.96020	143.0
[M]+	201.98498	141.3
[M]-	201.98608	141.3

Literature stripe

literature stripe

Patent stripe

patents stripe