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

38
Patents

263.93137 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.93865 123.1
[M+Na]+ 286.92059 134.4
[M-H]- 262.92409 116.8
[M+NH4]+ 281.96519 147.0
[M+K]+ 302.89453 130.8
[M+H-H2O]+ 246.92863 115.1
[M+HCOO]- 308.92957 125.3
[M+CH3COO]- 322.94522 191.9
[M+Na-2H]- 284.90604 126.4
[M]+ 263.93082 114.2
[M]- 263.93192 114.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe