CID 2776977

175278-08-7

Structural Information

Molecular Formula

C₆H₂ClF₃O₂S

SMILES

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

InChI

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

InChIKey

XFTDZYFHXRZLEF-UHFFFAOYSA-N

Compound name

2,3,4-trifluorobenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 379
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]+	230.948896	132.3
[M+Na]+	252.930838	145.2
[M-H]-	228.934344	133.6
[M+NH4]+	247.975443	152.3
[M+K]+	268.904778	140.2
[M+H-H2O]+	212.938880	126.1
[M+HCOO]-	274.939821	144.1
[M+CH3COO]-	288.955471	184.4
[M+Na-2H]-	250.916286	135.4
[M]+	229.94107142	133.9
[M]-	229.94216858	133.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe