CID 71651780

3-(perfluoropentyl)propan-1-ol

Structural Information

Molecular Formula
C8H7F11O
SMILES
C(CC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)CO
InChI
InChI=1S/C8H7F11O/c9-4(10,2-1-3-20)5(11,12)6(13,14)7(15,16)8(17,18)19/h20H,1-3H2
InChIKey
HANSJPPGCRVCPJ-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,8,8,8-undecafluorooctan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

328.03214 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.03942 185.6
[M+Na]+ 351.02136 185.7
[M+NH4]+ 346.06596 184.6
[M+K]+ 366.99530 183.6
[M-H]- 327.02486 179.0
[M+Na-2H]- 349.00681 182.7
[M]+ 328.03159 183.5
[M]- 328.03269 183.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe