CID 2736505

33330-46-0

Structural Information

Molecular Formula

C₈H₈ClFO₂S

SMILES

C1=CC(=CC=C1F)S(=O)(=O)CCCl

InChI

InChI=1S/C8H8ClFO2S/c9-5-6-13(11,12)8-3-1-7(10)2-4-8/h1-4H,5-6H2

InChIKey

VOJIERKKDNYFCX-UHFFFAOYSA-N

Compound name

1-(2-chloroethylsulfonyl)-4-fluorobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 221.99176 Da
Monoisotopic Mass: 2.0
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]+	222.99904	139.2
[M+Na]+	244.98098	149.6
[M-H]-	220.98448	142.3
[M+NH4]+	240.02558	159.2
[M+K]+	260.95492	144.9
[M+H-H2O]+	204.98902	134.1
[M+HCOO]-	266.98996	152.5
[M+CH3COO]-	281.00561	182.5
[M+Na-2H]-	242.96643	143.6
[M]+	221.99121	143.0
[M]-	221.99231	143.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe