CID 9641

2,2,3,3,4,4,5,5-octafluoro-1-pentanol

Structural Information

Molecular Formula
C5H4F8O
SMILES
C(C(C(C(C(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C5H4F8O/c6-2(7)4(10,11)5(12,13)3(8,9)1-14/h2,14H,1H2
InChIKey
JUGSKHLZINSXPQ-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5-octafluoropentan-1-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

3
References

3267
Patents

232.01344 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.02072 173.9
[M+Na]+ 255.00266 175.4
[M+NH4]+ 250.04726 174.0
[M+K]+ 270.97660 172.8
[M-H]- 231.00616 165.1
[M+Na-2H]- 252.98811 171.1
[M]+ 232.01289 171.2
[M]- 232.01399 171.2
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