CID 2776397

232267-34-4

Structural Information

Molecular Formula
C9H3F17O
SMILES
C(C(C(C(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(F)F)(C(F)(F)F)F)(F)F)O
InChI
InChI=1S/C9H3F17O/c10-2(11,1-27)4(12,9(24,25)26)5(13,14)3(6(15,16)17,7(18,19)20)8(21,22)23/h27H,1H2
InChIKey
OZJOKWZATUYTID-UHFFFAOYSA-N
Compound name
2,2,3,4,4,6,6,6-octafluoro-3,5,5-tris(trifluoromethyl)hexan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

18
Patents

449.99124 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.99852 162.4
[M+Na]+ 472.98046 162.5
[M+NH4]+ 468.02506 162.2
[M+K]+ 488.95440 162.7
[M-H]- 448.98396 161.0
[M+Na-2H]- 470.96591 162.6
[M]+ 449.99069 161.9
[M]- 449.99179 161.9
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

patents stripe