CID 9641

355-80-6

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
5
Annotation Hits

3
References

2963
Patents

232.01344 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.020716 137.5
[M+Na]+ 255.002658 146.0
[M-H]- 231.006164 126.8
[M+NH4]+ 250.047263 154.1
[M+K]+ 270.976598 144.0
[M+H-H2O]+ 215.010700 127.7
[M+HCOO]- 277.011641 146.1
[M+CH3COO]- 291.027291 189.0
[M+Na-2H]- 252.988106 140.9
[M]+ 232.01289142 124.8
[M]- 232.01398858 124.8
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