CID 2776291

1h,1h,8h-perfluoro-1-octanol

Structural Information

Molecular Formula
C8H4F14O
SMILES
C(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C8H4F14O/c9-2(10)4(13,14)6(17,18)8(21,22)7(19,20)5(15,16)3(11,12)1-23/h2,23H,1H2
InChIKey
ISIIJJQHILZBPB-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

42
Patents

382.00385 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.011126 169.2
[M+Na]+ 404.993068 177.9
[M-H]- 380.996574 153.1
[M+NH4]+ 400.037673 154.1
[M+K]+ 420.967008 174.6
[M+H-H2O]+ 365.001110 155.5
[M+HCOO]- 427.002051 166.3
[M+CH3COO]- 441.017701 217.3
[M+Na-2H]- 402.978516 170.8
[M]+ 382.00330142 146.8
[M]- 382.00439858 146.8
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