CID 165362502

Dtxsid101348650

Structural Information

Molecular Formula
C4H4F6OS
SMILES
C(OC(C(F)(F)F)C(F)(F)S)F
InChI
InChI=1S/C4H4F6OS/c5-1-11-2(3(6,7)8)4(9,10)12/h2,12H,1H2
InChIKey
XZOXKYBXXCEUMG-UHFFFAOYSA-N
Compound name
1,1,3,3,3-pentafluoro-2-(fluoromethoxy)propane-1-thiol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

213.98871 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.995986 132.5
[M+Na]+ 236.977928 141.0
[M-H]- 212.981434 125.5
[M+NH4]+ 232.022533 151.3
[M+K]+ 252.951868 139.5
[M+H-H2O]+ 196.985970 123.2
[M+HCOO]- 258.986911 141.3
[M+CH3COO]- 273.002561 185.1
[M+Na-2H]- 234.963376 134.0
[M]+ 213.98816142 127.1
[M]- 213.98925858 127.1
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.