CID 121553280

1819971-28-2

Structural Information

Molecular Formula

C₈H₆ClFO₂S

SMILES

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

InChI

InChI=1S/C8H6ClFO2S/c9-8-3-1-7(2-4-8)5-6-13(10,11)12/h1-6H/b6-5+

InChIKey

UVUNWXQELONMGK-AATRIKPKSA-N

Compound name

(E)-2-(4-chlorophenyl)ethenesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 219.9761 Da
Monoisotopic Mass: 2.8
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]+	220.98338	138.5
[M+Na]+	242.96532	149.3
[M-H]-	218.96882	141.7
[M+NH4]+	238.00992	158.6
[M+K]+	258.93926	144.0
[M+H-H2O]+	202.97336	133.6
[M+HCOO]-	264.97430	152.0
[M+CH3COO]-	278.98995	180.9
[M+Na-2H]-	240.95077	142.9
[M]+	219.97555	141.6
[M]-	219.97665	141.6

Literature stripe

literature stripe

Patent stripe

patents stripe