CID 44717361

4-(chloromethyl)benzenesulphonyl fluoride

Structural Information

Molecular Formula

C₇H₆ClFO₂S

SMILES

C1=CC(=CC=C1CCl)S(=O)(=O)F

InChI

InChI=1S/C7H6ClFO2S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4H,5H2

InChIKey

IDJRFBRURUINQC-UHFFFAOYSA-N

Compound name

4-(chloromethyl)benzenesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 207.9761 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]+	208.98338	134.6
[M+Na]+	230.96532	145.4
[M-H]-	206.96882	137.9
[M+NH4]+	226.00992	155.2
[M+K]+	246.93926	141.0
[M+H-H2O]+	190.97336	129.7
[M+HCOO]-	252.97430	148.2
[M+CH3COO]-	266.98995	179.5
[M+Na-2H]-	228.95077	139.5
[M]+	207.97555	138.1
[M]-	207.97665	138.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe