CID 165362503

Dtxsid201348653

Structural Information

Molecular Formula
C4H3F5OS
SMILES
C(O/C(=C(/F)\S)/C(F)(F)F)F
InChI
InChI=1S/C4H3F5OS/c5-1-10-2(3(6)11)4(7,8)9/h11H,1H2/b3-2-
InChIKey
OKUWVAYPMFQVQA-IHWYPQMZSA-N
Compound name
(Z)-1,3,3,3-tetrafluoro-2-(fluoromethoxy)prop-1-ene-1-thiol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

193.98248 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.989756 128.7
[M+Na]+ 216.971698 136.9
[M-H]- 192.975204 122.9
[M+NH4]+ 212.016303 148.3
[M+K]+ 232.945638 135.3
[M+H-H2O]+ 176.979740 120.0
[M+HCOO]- 238.980681 139.2
[M+CH3COO]- 252.996331 180.9
[M+Na-2H]- 214.957146 128.8
[M]+ 193.98193142 123.9
[M]- 193.98302858 123.9
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.