CID 5708735

4,5,5,5-tetrafluoro-4-(trifluoromethyl)pent-2-en-1-ol

Structural Information

Molecular Formula
C6H5F7O
SMILES
C(/C=C/C(C(F)(F)F)(C(F)(F)F)F)O
InChI
InChI=1S/C6H5F7O/c7-4(2-1-3-14,5(8,9)10)6(11,12)13/h1-2,14H,3H2/b2-1+
InChIKey
LJGTZTYTTFGFAE-OWOJBTEDSA-N
Compound name
(E)-4,5,5,5-tetrafluoro-4-(trifluoromethyl)pent-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

226.02286 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.03014 170.6
[M+Na]+ 249.01208 172.9
[M+NH4]+ 244.05668 171.2
[M+K]+ 264.98602 169.7
[M-H]- 225.01558 161.5
[M+Na-2H]- 246.99753 168.2
[M]+ 226.02231 167.9
[M]- 226.02341 167.9
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

patents stripe