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]+ 248.99565 138.2
[M+Na]+ 270.97759 147.0
[M-H]- 246.98109 126.5
[M+NH4]+ 266.02219 154.0
[M+K]+ 286.95153 144.5
[M+H-H2O]+ 230.98563 127.7
[M+HCOO]- 292.98657 145.0
[M+CH3COO]- 307.00222 190.5
[M+Na-2H]- 268.96304 139.9
[M]+ 247.98782 122.6
[M]- 247.98892 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.