CID 12829

P-dithiane, octafluoro-

Structural Information

Molecular Formula

C₄F₈S₂

SMILES

C1(C(SC(C(S1)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C4F8S2/c5-1(6)2(7,8)14-4(11,12)3(9,10)13-1

InChIKey

MABSKGZSSMBURB-UHFFFAOYSA-N

Compound name

2,2,3,3,5,5,6,6-octafluoro-1,4-dithiane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 263.93137 Da
Monoisotopic Mass: 4.4
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]+	264.93865	167.8
[M+Na]+	286.92059	170.1
[M+NH4]+	281.96519	171.9
[M+K]+	302.89453	161.9
[M-H]-	262.92409	161.8
[M+Na-2H]-	284.90604	169.2
[M]+	263.93082	166.8
[M]-	263.93192	166.8

Literature stripe

literature stripe

Patent stripe

patents stripe