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
1
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]+ 214.99599 132.5
[M+Na]+ 236.97793 141.0
[M-H]- 212.98143 125.5
[M+NH4]+ 232.02253 151.3
[M+K]+ 252.95187 139.5
[M+H-H2O]+ 196.98597 123.2
[M+HCOO]- 258.98691 141.3
[M+CH3COO]- 273.00256 185.1
[M+Na-2H]- 234.96338 134.0
[M]+ 213.98816 127.1
[M]- 213.98926 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.