CID 11326863

Hexane, 1-(ethenylsulfinyl)-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-

Structural Information

Molecular Formula
C8H3F13OS
SMILES
C=CS(=O)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H3F13OS/c1-2-23(22)8(20,21)6(15,16)4(11,12)3(9,10)5(13,14)7(17,18)19/h2H,1H2
InChIKey
AXBAJZBYMBZLLS-UHFFFAOYSA-N
Compound name
1-ethenylsulfinyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

393.9697 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.97698 166.9
[M+Na]+ 416.95892 175.4
[M-H]- 392.96242 152.4
[M+NH4]+ 412.00352 177.2
[M+K]+ 432.93286 171.4
[M+H-H2O]+ 376.96696 152.8
[M+HCOO]- 438.96790 162.2
[M+CH3COO]- 452.98355 217.6
[M+Na-2H]- 414.94437 167.3
[M]+ 393.96915 148.8
[M]- 393.97025 148.8
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

No patent data available for this compound.