CID 53414452

1314905-61-7

Structural Information

Molecular Formula

C₇H₅Cl₂FO₂S

SMILES

C1=CC(=C(C(=C1)Cl)F)CS(=O)(=O)Cl

InChI

InChI=1S/C7H5Cl2FO2S/c8-6-3-1-2-5(7(6)10)4-13(9,11)12/h1-3H,4H2

InChIKey

NRQSNKNXNNTYNX-UHFFFAOYSA-N

Compound name

(3-chloro-2-fluorophenyl)methanesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 241.93713 Da
Monoisotopic Mass: 2.6
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]+	242.944406	139.2
[M+Na]+	264.926348	151.0
[M-H]-	240.929854	142.3
[M+NH4]+	259.970953	159.0
[M+K]+	280.900288	145.3
[M+H-H2O]+	224.934390	135.4
[M+HCOO]-	286.935331	147.8
[M+CH3COO]-	300.950981	185.4
[M+Na-2H]-	262.911796	142.8
[M]+	241.93658142	143.9
[M]-	241.93767858	143.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.