CID 70026

Pentafluorobenzenesulfonyl chloride

Structural Information

Molecular Formula

C₆ClF₅O₂S

SMILES

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

InChI

InChI=1S/C6ClF5O2S/c7-15(13,14)6-4(11)2(9)1(8)3(10)5(6)12

InChIKey

UOJCTEGNHXRPKO-UHFFFAOYSA-N

Compound name

2,3,4,5,6-pentafluorobenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 1085
Patents: 265.92276 Da
Monoisotopic Mass: 1.9
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]+	266.93004	159.2
[M+Na]+	288.91198	166.9
[M+NH4]+	283.95658	162.7
[M+K]+	304.88592	161.0
[M-H]-	264.91548	153.6
[M+Na-2H]-	286.89743	160.1
[M]+	265.92221	158.9
[M]-	265.92331	158.9

Literature stripe

literature stripe

Patent stripe

patents stripe