CID 19692988

4-chlorophenylsulfur pentafluoride

Structural Information

Molecular Formula

C₆H₄ClF₅S

SMILES

C1=CC(=CC=C1S(F)(F)(F)(F)F)Cl

InChI

InChI=1S/C6H4ClF5S/c7-5-1-3-6(4-2-5)13(8,9,10,11)12/h1-4H

InChIKey

AZOPETVFRMSFNY-UHFFFAOYSA-N

Compound name

(4-chlorophenyl)-pentafluoro-lambda6-sulfane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
Patents: 237.96423 Da
Monoisotopic Mass: 5.8
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]+	238.97151	126.5
[M+Na]+	260.95345	138.6
[M-H]-	236.95695	125.0
[M+NH4]+	255.99805	146.2
[M+K]+	276.92739	133.1
[M+H-H2O]+	220.96149	119.2
[M+HCOO]-	282.96243	136.1
[M+CH3COO]-	296.97808	186.2
[M+Na-2H]-	258.93890	128.2
[M]+	237.96368	123.7
[M]-	237.96478	123.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe