CID 16216952

307531-78-8

Structural Information

Molecular Formula
C12H21F5O
SMILES
CCCCCCCCC[C@@H](C(C(F)(F)F)(F)F)O
InChI
InChI=1S/C12H21F5O/c1-2-3-4-5-6-7-8-9-10(18)11(13,14)12(15,16)17/h10,18H,2-9H2,1H3/t10-/m0/s1
InChIKey
YFCKZQQCWZNEFP-JTQLQIEISA-N
Compound name
(3S)-1,1,1,2,2-pentafluorododecan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.15125 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.15853 163.1
[M+Na]+ 299.14047 168.3
[M-H]- 275.14397 154.6
[M+NH4]+ 294.18507 178.5
[M+K]+ 315.11441 165.3
[M+H-H2O]+ 259.14851 154.2
[M+HCOO]- 321.14945 174.2
[M+CH3COO]- 335.16510 199.5
[M+Na-2H]- 297.12592 163.6
[M]+ 276.15070 157.9
[M]- 276.15180 157.9
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

No patent data available for this compound.