PubChemLite - Einecs 257-538-6 (C16H4ClF19O3S)

Structural Information

Molecular Formula

SMILES

C1=CC(=CC=C1OC(=C(C(C(C(F)(F)F)(F)F)(C(C(F)(F)F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)S(=O)(=O)Cl

InChI

InChI=1S/C16H4ClF19O3S/c17-40(37,38)6-3-1-5(2-4-6)39-8(11(21,22)23)7(10(18,19)20)9(14(28,29)30,12(24,25)15(31,32)33)13(26,27)16(34,35)36/h1-4H

InChIKey

VOEFEIDNANPLSQ-UHFFFAOYSA-N

Compound name

4-[1,1,1,5,5,6,6,6-octafluoro-4-(1,1,2,2,2-pentafluoroethyl)-3,4-bis(trifluoromethyl)hex-2-en-2-yl]oxybenzenesulfonyl chloride

Related CIDs

2D Structure

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]+	672.93392	191.3
[M+Na]+	694.91586	197.8
[M-H]-	670.91936	201.2
[M+NH4]+	689.96046	205.3
[M+K]+	710.88980	206.8
[M+H-H2O]+	654.92390	182.3
[M+HCOO]-	716.92484	211.6
[M+CH3COO]-	730.94049	253.7
[M+Na-2H]-	692.90131	190.6
[M]+	671.92609	193.3
[M]-	671.92719	193.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

672.93392

191.3

[M+Na]+

694.91586

197.8

[M-H]-

670.91936

201.2

[M+NH4]+

689.96046

205.3

[M+K]+

710.88980

206.8

[M+H-H2O]+

654.92390

182.3

[M+HCOO]-

716.92484

211.6

[M+CH3COO]-

730.94049

253.7

[M+Na-2H]-

692.90131

190.6

[M]+

671.92609

193.3

[M]-

671.92719

193.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Einecs 257-538-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe