CID 115661

64011-45-6

Structural Information

Molecular Formula
C6H8F6O
SMILES
CC(CO)C(C(C(F)(F)F)F)(F)F
InChI
InChI=1S/C6H8F6O/c1-3(2-13)5(8,9)4(7)6(10,11)12/h3-4,13H,2H2,1H3
InChIKey
CWMCAODVQDQZOC-UHFFFAOYSA-N
Compound name
3,3,4,5,5,5-hexafluoro-2-methylpentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.04793 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.05521 136.8
[M+Na]+ 233.03715 144.4
[M-H]- 209.04065 128.3
[M+NH4]+ 228.08175 154.7
[M+K]+ 249.01109 142.9
[M+H-H2O]+ 193.04519 128.3
[M+HCOO]- 255.04613 147.9
[M+CH3COO]- 269.06178 185.4
[M+Na-2H]- 231.02260 138.8
[M]+ 210.04738 127.3
[M]- 210.04848 127.3
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.