CID 50998358

1208077-72-8

Structural Information

Molecular Formula

C₆H₂Cl₂F₂O₂S

SMILES

C1=CC(=C(C(=C1F)Cl)F)S(=O)(=O)Cl

InChI

InChI=1S/C6H2Cl2F2O2S/c7-5-3(9)1-2-4(6(5)10)13(8,11)12/h1-2H

InChIKey

LWTZUPNGXKUHOP-UHFFFAOYSA-N

Compound name

3-chloro-2,4-difluorobenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 81
Patents: 245.91206 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]+	246.91934	135.3
[M+Na]+	268.90128	148.3
[M-H]-	244.90478	137.5
[M+NH4]+	263.94588	155.1
[M+K]+	284.87522	142.5
[M+H-H2O]+	228.90932	131.0
[M+HCOO]-	290.91026	143.2
[M+CH3COO]-	304.92591	186.3
[M+Na-2H]-	266.88673	138.4
[M]+	245.91151	139.0
[M]-	245.91261	139.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe