CID 139594137

Perfluoropentenol

Structural Information

Molecular Formula
C5HF9O
SMILES
C(=C(/C(F)(F)F)\F)(\C(C(O)(F)F)(F)F)/F
InChI
InChI=1S/C5HF9O/c6-1(2(7)4(10,11)12)3(8,9)5(13,14)15/h15H/b2-1+
InChIKey
AEMIKYUDMNDMLZ-OWOJBTEDSA-N
Compound name
(E)-1,1,2,2,3,4,5,5,5-nonafluoropent-3-en-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

247.98837 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.995646 138.2
[M+Na]+ 270.977588 147.0
[M-H]- 246.981094 126.5
[M+NH4]+ 266.022193 154.0
[M+K]+ 286.951528 144.5
[M+H-H2O]+ 230.985630 127.7
[M+HCOO]- 292.986571 145.0
[M+CH3COO]- 307.002221 190.5
[M+Na-2H]- 268.963036 139.9
[M]+ 247.98782142 122.6
[M]- 247.98891858 122.6
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.