CID 215053

34844-38-7

Structural Information

Molecular Formula
C8H10F6O2
SMILES
C1CC(C(C1)O)C(C(F)(F)F)(C(F)(F)F)O
InChI
InChI=1S/C8H10F6O2/c9-7(10,11)6(16,8(12,13)14)4-2-1-3-5(4)15/h4-5,15-16H,1-3H2
InChIKey
NTZTXVLAIORZPJ-UHFFFAOYSA-N
Compound name
2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

252.0585 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.06578 147.0
[M+Na]+ 275.04772 154.2
[M-H]- 251.05122 140.2
[M+NH4]+ 270.09232 164.3
[M+K]+ 291.02166 151.4
[M+H-H2O]+ 235.05576 138.8
[M+HCOO]- 297.05670 155.9
[M+CH3COO]- 311.07235 186.3
[M+Na-2H]- 273.03317 149.4
[M]+ 252.05795 134.5
[M]- 252.05905 134.5
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