CID 2778858

3,4,5-trifluorobenzenesulfonyl chloride

Structural Information

Molecular Formula

C₆H₂ClF₃O₂S

SMILES

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

InChI

InChI=1S/C6H2ClF3O2S/c7-13(11,12)3-1-4(8)6(10)5(9)2-3/h1-2H

InChIKey

HSEHKULCGSMHAE-UHFFFAOYSA-N

Compound name

3,4,5-trifluorobenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 224
Patents: 229.94162 Da
Monoisotopic Mass: 2.2
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]+	230.94890	132.3
[M+Na]+	252.93084	145.2
[M-H]-	228.93434	133.6
[M+NH4]+	247.97544	152.3
[M+K]+	268.90478	140.2
[M+H-H2O]+	212.93888	126.1
[M+HCOO]-	274.93982	144.1
[M+CH3COO]-	288.95547	184.4
[M+Na-2H]-	250.91629	135.4
[M]+	229.94107	133.9
[M]-	229.94217	133.9

Literature stripe

literature stripe

Patent stripe

patents stripe