CID 24750251

((chlorodifluoromethyl)sulfonyl)benzene

Structural Information

Molecular Formula

C₇H₅ClF₂O₂S

SMILES

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

InChI

InChI=1S/C7H5ClF2O2S/c8-7(9,10)13(11,12)6-4-2-1-3-5-6/h1-5H

InChIKey

DZKIZVXCLNLUJF-UHFFFAOYSA-N

Compound name

[chloro(difluoro)methyl]sulfonylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 47
Patents: 225.96669 Da
Monoisotopic Mass: 2.9
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]+	226.97397	137.7
[M+Na]+	248.95591	148.1
[M-H]-	224.95941	139.6
[M+NH4]+	244.00051	157.2
[M+K]+	264.92985	143.6
[M+H-H2O]+	208.96395	132.0
[M+HCOO]-	270.96489	148.9
[M+CH3COO]-	284.98054	181.5
[M+Na-2H]-	246.94136	143.6
[M]+	225.96614	139.2
[M]-	225.96724	139.2

Literature stripe

literature stripe

Patent stripe

patents stripe