CID 12114475

2-(4-fluorophenyl)ethene-1-sulfonyl chloride

Structural Information

Molecular Formula

C₈H₆ClFO₂S

SMILES

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

InChI

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

InChIKey

WEYVXKRBZKSRRM-AATRIKPKSA-N

Compound name

(E)-2-(4-fluorophenyl)ethenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 219.9761 Da
Monoisotopic Mass: 2.5
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]+	220.98338	142.9
[M+Na]+	242.96532	155.3
[M+NH4]+	238.00992	150.7
[M+K]+	258.93926	146.8
[M-H]-	218.96882	142.6
[M+Na-2H]-	240.95077	148.6
[M]+	219.97555	145.3
[M]-	219.97665	145.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe