CID 216319

Octafluoropentanol

Structural Information

Molecular Formula
C5H4F8O
SMILES
CC(C(C(C(O)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C5H4F8O/c1-2(6,7)3(8,9)4(10,11)5(12,13)14/h14H,1H3
InChIKey
KUGBQWBWWNPMIT-UHFFFAOYSA-N
Compound name
1,1,2,2,3,3,4,4-octafluoropentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1557
Patents

232.01344 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.02072 176.0
[M+Na]+ 255.00266 177.5
[M+NH4]+ 250.04726 176.0
[M+K]+ 270.97660 174.9
[M-H]- 231.00616 167.1
[M+Na-2H]- 252.98811 173.2
[M]+ 232.01289 173.3
[M]- 232.01399 173.3
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

patents stripe