CID 216319

Octafluoro-1-pentanol

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

2313
Patents

232.01344 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.020716 137.6
[M+Na]+ 255.002658 146.7
[M-H]- 231.006164 127.3
[M+NH4]+ 250.047263 154.3
[M+K]+ 270.976598 144.8
[M+H-H2O]+ 215.010700 128.3
[M+HCOO]- 277.011641 145.6
[M+CH3COO]- 291.027291 188.9
[M+Na-2H]- 252.988106 143.2
[M]+ 232.01289142 124.9
[M]- 232.01398858 124.9
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