CID 145874515

2375267-52-8

Structural Information

Molecular Formula

C₈H₈ClFO₃S

SMILES

COC1=CC(=C(C=C1)S(=O)(=O)F)CCl

InChI

InChI=1S/C8H8ClFO3S/c1-13-7-2-3-8(14(10,11)12)6(4-7)5-9/h2-4H,5H2,1H3

InChIKey

OPWRJLVTFIVFBM-UHFFFAOYSA-N

Compound name

2-(chloromethyl)-4-methoxybenzenesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 237.98666 Da
Monoisotopic Mass: 2.1
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]+	238.993936	141.6
[M+Na]+	260.975878	152.7
[M-H]-	236.979384	145.1
[M+NH4]+	256.020483	161.2
[M+K]+	276.949818	148.5
[M+H-H2O]+	220.983920	136.6
[M+HCOO]-	282.984861	155.1
[M+CH3COO]-	297.000511	185.7
[M+Na-2H]-	258.961326	145.6
[M]+	237.98611142	147.3
[M]-	237.98720858	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.