CID 51072262

1018548-27-0

Structural Information

Molecular Formula

C₈H₈ClFO₃S

SMILES

C1=CC(=CC=C1OCCS(=O)(=O)Cl)F

InChI

InChI=1S/C8H8ClFO3S/c9-14(11,12)6-5-13-8-3-1-7(10)2-4-8/h1-4H,5-6H2

InChIKey

VGZMGRHCUYOATF-UHFFFAOYSA-N

Compound name

2-(4-fluorophenoxy)ethanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 237.98666 Da
Monoisotopic Mass: 2.2
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]+	238.99394	142.4
[M+Na]+	260.97588	152.6
[M-H]-	236.97938	145.5
[M+NH4]+	256.02048	161.7
[M+K]+	276.94982	148.4
[M+H-H2O]+	220.98392	137.1
[M+HCOO]-	282.98486	156.0
[M+CH3COO]-	297.00051	184.5
[M+Na-2H]-	258.96133	147.0
[M]+	237.98611	147.7
[M]-	237.98721	147.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe